版本
5.0
创建日期
2005-11-16 15:48:42 UTC
更新日期
2021-09-14 15:46:27 UTC
登录号
HMDB0000210
地位
quantified
二级访问
HMDB00210

HMDB0062717

HMDB62717

名称
Pantothenic acid
描述
Pantothenic acid, also called vitamin B5, is a water-soluble vitamin required to sustain life. Pantothenic acid is needed to form coenzyme-A (CoA), and is thus critical in the metabolism and synthesis of carbohydrates, proteins, and fats. Its name is derived from the Greek pantothen meaning "from everywhere" and small quantities of pantothenic acid are found in nearly every food, with high amounts in whole grain cereals, legumes, eggs, meat, and royal jelly. Pantothenic acid is classified as a member of the secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Pantothenic acid is considered to be soluble (in water) and acidic.
同义词
1:(+)-Pantothenic acid

2:(R)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine

3:Chick antidermatitis factor

4:D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine

5:D-(+)-Pantothenic acid

6:D-Pantothenic acid

7:N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-beta-alanine

8:PANTOTHENOIC ACID

9:Vitamin b5

10:(R)-Pantothenate

11:Pantothen pharmaselect

12:(+)-Pantothenate

13:(R)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-b-alanine

14:(R)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-β-alanine

15:D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-b-alanine

16:D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-β-alanine

17:D-(+)-Pantothenate

18:D-Pantothenate

19:N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-b-alanine

20:N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-β-alanine

21:PANTOTHENOate

22:(R)-Pantothenic acid

23:Pantothenate

24:b5, Vitamin

25:Pantothenate, zinc

26:b 5, Vitamin

27:Calcium pantothenate

28:Pantothenate, calcium

29:Vitamin b 5

30:Dexol

31:Zinc pantothenate

32:Pantothenic acid

化学式
C9H17NO5
平均分子量
219.235
等位分子量
219.110672659
化学名称
3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid
传统名称
(+)-pantothenic acid
CAS 登记号
79-83-4
代谢物结构字符串
CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O
inchi标识符
InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1
印记键
GHOKWGTUZJEAQD-ZETCQYMHSA-N
分类学
description: belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).

description:Secondary alcohols

kingdom:Organic compounds

super_class:Organic oxygen compounds

class:Organooxygen compounds

sub_class:Alcohols and polyols

molecular_framework:Aliphatic acyclic compounds

1:Carbonyl compounds

2:Carboximidic acids

3:Carboxylic acids

4:Hydrocarbon derivatives

5:Monocarboxylic acids and derivatives

6:Organic oxides

7:Organonitrogen compounds

8:Organopnictogen compounds

9:Polyols

10:Primary alcohols

11:Propargyl-type 1,3-dipolar organic compounds

12:Aliphatic acyclic compound

13:Carbonyl group

14:Carboximidic acid

15:Carboximidic acid derivative

16:Carboxylic acid

17:Carboxylic acid derivative

18:Hydrocarbon derivative

19:Monocarboxylic acid or derivatives

20:Organic 1,3-dipolar compound

21:Organic nitrogen compound

22:Organic oxide

23:Organonitrogen compound

24:Organopnictogen compound

25:Polyol

26:Primary alcohol

27:Propargyl-type 1,3-dipolar organic compound

28:Secondary alcohol

29:Water-soluble vitamins

30:pantothenic acid

本体论
term:Disposition

definition:A concept that describes the origin of a chemical, its location within an organism, or its route of exposure.

parent_id:

level:1

type:parent

term:Source

definition:Natural or synthetic origin of a chemical.

parent_id:7724

*level:2

type:parent

term:Food

definition:

parent_id:7735

**level:3

type:child

term:Biological location

definition:The physiological origin within an organism, including anatomical compnents, biofluids and excreta.

parent_id:7724

*level:2

type:parent

term:Tissue and substructures

definition:An anatomical organizational level including multiple cells yet not comprising a complete organ .

parent_id:7725

**level:3

type:parent

term:Placenta

definition:An organ present in some vertebrates during embryonic gestation that surrounds the fetus and provides it with nutrients and oxygen, facilitates gas and waste exchange between the fetus and mother, and provides parasitic cloaking from the mother's immune system by excretion of neurokinin b. (nci).

parent_id:7729

***level:4

type:child

term:Organ and components

definition:An anatomical organizational level including multiple tissues or substructures, which enables a common biological function.

parent_id:7725

**level:3

type:parent

term:Prostate

definition:The male reproductive accessory gland that produces prostatic fluid and is located adjacent to or around the urethra distal to the urinary bladder in mammals. (nci).

parent_id:7727

***level:4

type:child

synonym:Prostate gland

term:Liver

definition:An abdominal organ that has variable lobation which are composed mainly of hepatic lobules. (nci).

parent_id:7727

***level:4

type:child

term:Biofluid and excreta

definition:A liquid, semi-solid or solid material originating in the body.

parent_id:7725

**level:3

type:parent

term:Urine

definition:Excretion in liquid state processed by the kidney.

parent_id:7731

***level:4

type:child

term:Saliva

definition:The watery fluid in the mouth made by the salivary glands. saliva moistens food to help digestion and it helps protect the mouth against infections. (nci).

parent_id:7731

***level:4

type:child

term:Feces

definition:The material discharged from the bowel during defecation. It consists of undigested food, intestinal mucus, epithelial cells, and bacteria.

parent_id:7731

***level:4

type:child

synonym:Fecal

synonym:Stool

synonym:Faecal

synonym:Faeces

term:Blood

definition:A liquid tissue with the primary function of transporting oxygen and carbon dioxide (nci). it supplies the tissues with nutrients, removes waste products, and contains various components of the immune system defending the body against infection.

parent_id:7731

***level:4

type:child

term:Breast milk

definition:Portion of secreted substance produced by the mammary gland.

parent_id:7731

***level:4

type:child

term:Cerebrospinal fluid

definition:The fluid that is contained within the brain ventricles, the subarachnoid space and the central canal of the spinal cord. (nci).

parent_id:7731

***level:4

type:child

synonym:Csf

term:Cell and elements

definition:An anatomical organizational level comprising of a single cell (or a fragment in some exceptions). a cell is defined by its type or function. it is the smallest unit of living structure capable of independent existence, composed of a membrane-enclosed mass of protoplasm and containing a nucleus or nucleoid.

parent_id:7725

**level:3

type:parent

term:Extracellular

definition:The space external to the outermost structure of a cell.

parent_id:7732

***level:4

type:child

synonym:Extracellular region

term:Subcellular

definition:An anatomical organizational level including a component within a biological cell .

parent_id:7725

**level:3

type:parent

term:Mitochondria

definition:

parent_id:7730

***level:4

type:child

term:Cytoplasm

definition:The portion of the cell contained within the plasma membrane but excluding the nucleus.

parent_id:7730

***level:4

type:child

synonym:Cytoplasma

term:Process

definition:Biological or chemical events, or a series thereof, leading to a known function or end-product.

parent_id:

level:1

type:parent

term:Naturally occurring process

definition:Naturally-occurring molecular events or a series thereof, leading to a known function or end-product.

parent_id:7659

*level:2

type:parent

term:Biological process

definition:Biological or chemical events or a series thereof, leading to a known function or end-product within an organism.

parent_id:7660

**level:3

type:parent

term:Biochemical pathway

definition:A linked series of chemical reactions that occur in a defined order within or between organism cells, and lead to a known function or end product.

parent_id:7661

***level:4

type:parent

term:Role

definition:The purpose or function assumed by a chemical, either naturally or as intended by humans .

parent_id:

level:1

type:parent

term:Industrial application

definition:The assumed function of a chemical utilized by human.

parent_id:7671

*level:2

type:parent

term:Drug

definition:A chemical substance or preparation that causes a physiological effect in the body upon exposure .

parent_id:7678

**level:3

type:child

term:Pharmaceutical industry

definition:A pharmacologic activity for which a chemical substance is utilized owing to its biological role.

parent_id:7678

**level:3

type:parent

term:Pharmaceutical

definition:

parent_id:7679

***level:4

type:child

term:Biological role

definition:The biological function of a chemical. the biological role answers the question how a chemical is involved in molecular processes in an organism. this can include biochemical effects of non-endogenous chemicals, which are also assigned an industrial application such as pharmaceuticals. the biological role is limited to cellular levls, and will not include role at system process level, such as a chemical which has a role in a disease.

parent_id:7671

*level:2

type:parent

term:Essential vitamin

definition:

parent_id:7672

**level:3

type:child

状态
Solid
实验性质
1:

kind:water_solubility

value:1000.0 mg/mL

source:

2:

kind:melting_point

value:< 25 °C

source:

预测性质
1:

kind:logp

value:-1.12

source:ALOGPS

2:

kind:logs

value:-0.56

source:ALOGPS

3:

kind:solubility

value:60.5 g/L

source:ALOGPS

4:

kind:logp

value:-1.4

source:ChemAxon

5:

kind:pka_strongest_acidic

value:4.35

source:ChemAxon

6:

kind:pka_strongest_basic

value:-2.8

source:ChemAxon

7:

kind:iupac

value:3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid

source:ChemAxon

8:

kind:average_mass

value:219.235

source:ChemAxon

9:

kind:mono_mass

value:219.110672659

source:ChemAxon

10:

kind:smiles

value:CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O

source:ChemAxon

11:

kind:formula

value:C9H17NO5

source:ChemAxon

12:

kind:inchi

value:InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1

source:ChemAxon

13:

kind:inchikey

value:GHOKWGTUZJEAQD-ZETCQYMHSA-N

source:ChemAxon

14:

kind:polar_surface_area

value:106.86

source:ChemAxon

15:

kind:refractivity

value:51.51

source:ChemAxon

16:

kind:polarizability

value:21.99

source:ChemAxon

17:

kind:rotatable_bond_count

value:6

source:ChemAxon

18:

kind:acceptor_count

value:5

source:ChemAxon

19:

kind:donor_count

value:4

source:ChemAxon

20:

kind:physiological_charge

value:-1

source:ChemAxon

21:

kind:formal_charge

value:0

source:ChemAxon

22:

kind:number_of_rings

value:0

source:ChemAxon

23:

kind:bioavailability

value:Yes

source:ChemAxon

24:

kind:rule_of_five

value:Yes

source:ChemAxon

25:

kind:ghose_filter

value:No

source:ChemAxon

26:

kind:veber_rule

value:No

source:ChemAxon

27:

kind:mddr_like_rule

value:No

source:ChemAxon

1:

type:Specdb::CMs

spectrum_id:1723

2:

type:Specdb::CMs

spectrum_id:1724

3:

type:Specdb::CMs

spectrum_id:2965

4:

type:Specdb::CMs

spectrum_id:30224

5:

type:Specdb::CMs

spectrum_id:30663

6:

type:Specdb::CMs

spectrum_id:32319

7:

type:Specdb::CMs

spectrum_id:49026

8:

type:Specdb::CMs

spectrum_id:146242

9:

type:Specdb::NmrTwoD

spectrum_id:1999

10:

type:Specdb::NmrTwoD

spectrum_id:2000

11:

type:Specdb::MsMs

spectrum_id:92793

12:

type:Specdb::MsMs

spectrum_id:92794

13:

type:Specdb::MsMs

spectrum_id:92795

14:

type:Specdb::MsMs

spectrum_id:156474

15:

type:Specdb::MsMs

spectrum_id:156475

16:

type:Specdb::MsMs

spectrum_id:156476

17:

type:Specdb::MsMs

spectrum_id:438264

18:

type:Specdb::MsMs

spectrum_id:438265

19:

type:Specdb::MsMs

spectrum_id:438266

20:

type:Specdb::MsMs

spectrum_id:438267

21:

type:Specdb::MsMs

spectrum_id:438268

22:

type:Specdb::MsMs

spectrum_id:438692

23:

type:Specdb::MsMs

spectrum_id:439173

24:

type:Specdb::MsMs

spectrum_id:439243

25:

type:Specdb::MsMs

spectrum_id:440107

26:

type:Specdb::MsMs

spectrum_id:446714

27:

type:Specdb::MsMs

spectrum_id:446715

28:

type:Specdb::MsMs

spectrum_id:446716

29:

type:Specdb::MsMs

spectrum_id:446717

30:

type:Specdb::MsMs

spectrum_id:446718

31:

type:Specdb::MsMs

spectrum_id:447270

32:

type:Specdb::MsMs

spectrum_id:447936

33:

type:Specdb::MsMs

spectrum_id:447937

34:

type:Specdb::MsMs

spectrum_id:448120

35:

type:Specdb::MsMs

spectrum_id:448179

36:

type:Specdb::NmrOneD

spectrum_id:4790

37:

type:Specdb::NmrOneD

spectrum_id:4791

38:

type:Specdb::NmrOneD

spectrum_id:142910

39:

type:Specdb::NmrOneD

spectrum_id:142911

40:

type:Specdb::NmrOneD

spectrum_id:142912

41:

type:Specdb::NmrOneD

spectrum_id:142913

42:

type:Specdb::NmrOneD

spectrum_id:142914

43:

type:Specdb::NmrOneD

spectrum_id:142915

44:

type:Specdb::NmrOneD

spectrum_id:142916

45:

type:Specdb::NmrOneD

spectrum_id:142917

46:

type:Specdb::NmrOneD

spectrum_id:142918

47:

type:Specdb::NmrOneD

spectrum_id:142919

48:

type:Specdb::NmrOneD

spectrum_id:142920

49:

type:Specdb::NmrOneD

spectrum_id:142921

50:

type:Specdb::NmrOneD

spectrum_id:142922

51:

type:Specdb::NmrOneD

spectrum_id:142923

52:

type:Specdb::NmrOneD

spectrum_id:142924

53:

type:Specdb::NmrOneD

spectrum_id:142925

54:

type:Specdb::NmrOneD

spectrum_id:142926

55:

type:Specdb::NmrOneD

spectrum_id:142927

56:

type:Specdb::NmrOneD

spectrum_id:142928

57:

type:Specdb::NmrOneD

spectrum_id:142929

光谱
生物学性质
1:

cellular:(1):Extracellular

cellular:(2):Mitochondria

2:

biospecimen:(1):Blood

biospecimen:(2):Breast Milk

biospecimen:(3):Cerebrospinal Fluid (CSF)

biospecimen:(4):Feces

biospecimen:(5):Saliva

biospecimen:(6):Urine

3:

tissue:(1):Liver

tissue:(2):Placenta

tissue:(3):Prostate

4:

[1]:

name:beta-Alanine metabolism

smpdb_id:

kegg_map_id:map00410

[2]:

name:Carnosinuria, carnosinemia

smpdb_id:SMP00493

kegg_map_id:

[3]:

name:GABA-Transaminase Deficiency

smpdb_id:SMP00351

kegg_map_id:

[4]:

name:Pantothenate and CoA Biosynthesis

smpdb_id:SMP00027

kegg_map_id:map00770

[5]:

name:Ureidopropionase Deficiency

smpdb_id:SMP00492

kegg_map_id:

正常浓度
1:

biospecimen:Blood

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

2:

biospecimen:Blood

concentration_value:2.86 +/- 0.94

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

3:

biospecimen:Blood

concentration_value:4.91 +/- 0.38

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

4:

biospecimen:Blood

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

5:

biospecimen:Blood

concentration_value:3.6 (1.8-6.8)

concentration_units:uM

subject_age:Newborn (0-30 days old)

subject_sex:Both

subject_condition:Normal

6:

biospecimen:Blood

concentration_value:1.3 (0.66-2.6)

concentration_units:uM

subject_age:Children (1-13 years old)

subject_sex:Both

subject_condition:Normal

7:

biospecimen:Blood

concentration_value:0.30-1.80

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

8:

biospecimen:Breast Milk

concentration_value:14.7 +/- 7.3

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

9:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:4.13 (0.46-7.8)

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

10:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:1.0 +/- 0.068

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Not Specified

subject_condition:Normal

11:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:2.37 (0.46-7.8)

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

12:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

13:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Not Specified

subject_sex:Not Specified

subject_condition:Normal

14:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

15:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

16:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Infant (0-1 year old)

subject_sex:Both

subject_condition:Normal

17:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

18:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Infant (0-1 year old)

subject_sex:

subject_condition:Normal

19:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

20:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

21:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Children (6 - 18 years old)

subject_sex:Not Specified

subject_condition:Normal

22:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Infant (0-1 year old)

subject_sex:Not Specified

subject_condition:Normal

23:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Infant (0-1 year old)

subject_sex:Not Specified

subject_condition:Normal

24:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

25:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

26:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

27:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

28:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

29:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

30:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

31:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

32:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

33:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

34:

biospecimen:Saliva

concentration_value:0.433 +/- 0.189

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

35:

biospecimen:Urine

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

36:

biospecimen:Urine

concentration_value:6.313 +/- 4.243

concentration_units:umol/mmol creatinine

subject_age:Children (1 - 13 years old)

subject_sex:Not Specified

subject_condition:Normal

37:

biospecimen:Urine

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

38:

biospecimen:Urine

concentration_value:1.0 +/- 0.63

concentration_units:umol/mmol creatinine

subject_age:Children (1-13 years old)

subject_sex:Both

subject_condition:Normal

39:

biospecimen:Urine

concentration_value:2.7 +/- 0.9

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

40:

biospecimen:Urine

concentration_value:1.2 +/- 0.4

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

41:

biospecimen:Urine

concentration_value:1.9 (0.6-4.4)

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

42:

biospecimen:Urine

concentration_value:0.773 +/- 0.367

concentration_units:umol/mmol creatinine

subject_age:Children (1 - 13 years old)

subject_sex:Both

subject_condition:Normal

43:

biospecimen:Urine

concentration_value:1.100 +/- 0.347

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

44:

biospecimen:Urine

concentration_value:11.16 +/- 8.88

concentration_units:umol/mmol creatinine

subject_age:Infant (0-1 year old)

subject_sex:Both

subject_condition:Normal

45:

biospecimen:Urine

concentration_value:20-50

concentration_units:umol/mmol creatinine

subject_age:Newborn (0-30 days old)

subject_sex:Both

subject_condition:Normal

异常浓度
1:

biospecimen:Blood

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal adenoma

2:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:0.96 +/- 0.47

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Not Specified

patient_information:Alcoholism

3:

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:0.80 +/- 0.08

concentration_units:uM

patient_age:Adult (>18 years old)

patient_sex:Not Specified

patient_information:Alcoholism

4:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

5:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal Cancer

6:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

7:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Not Specified

patient_information:obese

8:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal Cancer

9:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Irritable bowel syndrome

10:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (6 - 18 years old)

patient_sex:Not Specified

patient_information:Crohns disease

11:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (6 - 18 years old)

patient_sex:Not Specified

patient_information:Ulcerative colitis

12:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (6 - 18 years old)

patient_sex:Not Specified

patient_information:Unclassified IBD

13:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

14:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

15:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

16:

biospecimen:Urine

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal adenoma

17:

biospecimen:Urine

concentration_value:6.766 +/- 7.862

concentration_units:umol/mmol creatinine

patient_age:Children (1 - 13 years old)

patient_sex:Not Specified

patient_information:Eosinophilic esophagitis

18:

biospecimen:Urine

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Bladder cancer

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1:

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omim_id:

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4:

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5:

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pubmed_id:23516449

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reference_text:Walton C, Fowler DP, Turner C, Jia W, Whitehead RN, Griffiths L, Dawson C, Waring RH, Ramsden DB, Cole JA, Cauchi M, Bessant C, Hunter JO: Analysis of volatile organic compounds of bacterial origin in chronic gastrointestinal diseases. Inflamm Bowel Dis. 2013 Sep;19(10):2069-78. doi: 10.1097/MIB.0b013e31829a91f6.

pubmed_id:23867873

[8]:

reference_text:De Preter V, Machiels K, Joossens M, Arijs I, Matthys C, Vermeire S, Rutgeerts P, Verbeke K: Faecal metabolite profiling identifies medium-chain fatty acids as discriminating compounds in IBD. Gut. 2015 Mar;64(3):447-58. doi: 10.1136/gutjnl-2013-306423. Epub 2014 May 8.

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reference_text:Bjerrum JT, Wang Y, Hao F, Coskun M, Ludwig C, Gunther U, Nielsen OH: Metabonomics of human fecal extracts characterize ulcerative colitis, Crohn's disease and healthy individuals. Metabolomics. 2015;11:122-133. Epub 2014 Jun 1.

pubmed_id:25598765

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reference_text:Ahmed I, Greenwood R, Costello B, Ratcliffe N, Probert CS: Investigation of faecal volatile organic metabolites as novel diagnostic biomarkers in inflammatory bowel disease. Aliment Pharmacol Ther. 2016 Mar;43(5):596-611. doi: 10.1111/apt.13522. Epub 2016 Jan 25.

pubmed_id:26806034

[11]:

reference_text:Lee T, Clavel T, Smirnov K, Schmidt A, Lagkouvardos I, Walker A, Lucio M, Michalke B, Schmitt-Kopplin P, Fedorak R, Haller D: Oral versus intravenous iron replacement therapy distinctly alters the gut microbiota and metabolome in patients with IBD. Gut. 2017 May;66(5):863-871. doi: 10.1136/gutjnl-2015-309940. Epub 2016 Feb 4.

pubmed_id:26848182

[12]:

reference_text:Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158.

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[13]:

reference_text:Azario I, Pievani A, Del Priore F, Antolini L, Santi L, Corsi A, Cardinale L, Sawamoto K, Kubaski F, Gentner B, Bernardo ME, Valsecchi MG, Riminucci M, Tomatsu S, Aiuti A, Biondi A, Serafini M: Neonatal umbilical cord blood transplantation halts skeletal disease progression in the murine model of MPS-I. Sci Rep. 2017 Aug 25;7(1):9473. doi: 10.1038/s41598-017-09958-9.

pubmed_id:28842642

6:

name:Ulcerative colitis

omim_id:

[1]:

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reference_text:Almer S, Andersson T, Strom M: Pharmacokinetics of tranexamic acid in patients with ulcerative colitis and in healthy volunteers after the single instillation of 2 g rectally. J Clin Pharmacol. 1992 Jan;32(1):49-54.

pubmed_id:1740537

[3]:

reference_text:Marchesi JR, Holmes E, Khan F, Kochhar S, Scanlan P, Shanahan F, Wilson ID, Wang Y: Rapid and noninvasive metabonomic characterization of inflammatory bowel disease. J Proteome Res. 2007 Feb;6(2):546-51.

pubmed_id:17269711

[4]:

reference_text:Garner CE, Smith S, de Lacy Costello B, White P, Spencer R, Probert CS, Ratcliffe NM: Volatile organic compounds from feces and their potential for diagnosis of gastrointestinal disease. FASEB J. 2007 Jun;21(8):1675-88. Epub 2007 Feb 21.

pubmed_id:17314143

[5]:

reference_text:Le Gall G, Noor SO, Ridgway K, Scovell L, Jamieson C, Johnson IT, Colquhoun IJ, Kemsley EK, Narbad A: Metabolomics of fecal extracts detects altered metabolic activity of gut microbiota in ulcerative colitis and irritable bowel syndrome. J Proteome Res. 2011 Sep 2;10(9):4208-18. doi: 10.1021/pr2003598. Epub 2011 Aug 8.

pubmed_id:21761941

[6]:

reference_text:Ahmed I, Greenwood R, Costello Bde L, Ratcliffe NM, Probert CS: An investigation of fecal volatile organic metabolites in irritable bowel syndrome. PLoS One. 2013;8(3):e58204. doi: 10.1371/journal.pone.0058204. Epub 2013 Mar 13.

pubmed_id:23516449

[7]:

reference_text:Walton C, Fowler DP, Turner C, Jia W, Whitehead RN, Griffiths L, Dawson C, Waring RH, Ramsden DB, Cole JA, Cauchi M, Bessant C, Hunter JO: Analysis of volatile organic compounds of bacterial origin in chronic gastrointestinal diseases. Inflamm Bowel Dis. 2013 Sep;19(10):2069-78. doi: 10.1097/MIB.0b013e31829a91f6.

pubmed_id:23867873

[8]:

reference_text:De Preter V, Machiels K, Joossens M, Arijs I, Matthys C, Vermeire S, Rutgeerts P, Verbeke K: Faecal metabolite profiling identifies medium-chain fatty acids as discriminating compounds in IBD. Gut. 2015 Mar;64(3):447-58. doi: 10.1136/gutjnl-2013-306423. Epub 2014 May 8.

pubmed_id:24811995

[9]:

reference_text:Bjerrum JT, Wang Y, Hao F, Coskun M, Ludwig C, Gunther U, Nielsen OH: Metabonomics of human fecal extracts characterize ulcerative colitis, Crohn's disease and healthy individuals. Metabolomics. 2015;11:122-133. Epub 2014 Jun 1.

pubmed_id:25598765

[10]:

reference_text:Ahmed I, Greenwood R, Costello B, Ratcliffe N, Probert CS: Investigation of faecal volatile organic metabolites as novel diagnostic biomarkers in inflammatory bowel disease. Aliment Pharmacol Ther. 2016 Mar;43(5):596-611. doi: 10.1111/apt.13522. Epub 2016 Jan 25.

pubmed_id:26806034

[11]:

reference_text:Lee T, Clavel T, Smirnov K, Schmidt A, Lagkouvardos I, Walker A, Lucio M, Michalke B, Schmitt-Kopplin P, Fedorak R, Haller D: Oral versus intravenous iron replacement therapy distinctly alters the gut microbiota and metabolome in patients with IBD. Gut. 2017 May;66(5):863-871. doi: 10.1136/gutjnl-2015-309940. Epub 2016 Feb 4.

pubmed_id:26848182

[12]:

reference_text:Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158.

pubmed_id:27609529

[13]:

reference_text:Azario I, Pievani A, Del Priore F, Antolini L, Santi L, Corsi A, Cardinale L, Sawamoto K, Kubaski F, Gentner B, Bernardo ME, Valsecchi MG, Riminucci M, Tomatsu S, Aiuti A, Biondi A, Serafini M: Neonatal umbilical cord blood transplantation halts skeletal disease progression in the murine model of MPS-I. Sci Rep. 2017 Aug 25;7(1):9473. doi: 10.1038/s41598-017-09958-9.

pubmed_id:28842642

7:

name:Eosinophilic esophagitis

omim_id:610247

[1]:

reference_text:Mordechai, Hien, and David S. Wishart

pubmed_id:

KEGG数据库编号
C00864
DrugBank数据库编号
foodb数据库编号
FDB030151
ChemSpider数据库编号
6361
公共化学化合物编号
6613
PDB数据库编号
生物利益的化学实体数据库编号
46905
knapsack数据库编号
C00001550
维基百科编号
Pantothenic_Acid
代谢途径的数据库编号
PANTOTHENATE
苯酚资源管理器化合物数据库编号
比格数据库编号
梅林编号
虚拟机身份证编号
PNTO_R
fbonto数据库编号
综合参考
Kataoka, Michihiko; Shimizu, Sakayu; Doi, Yukiko; Yamada, Hideaki. Stereospecific reduction of ethyl 2'-ketopantothenate to ethyl D-(+)-pantothenate with microbial cells as a catalyst. Applied and Environmental Microbiology (1990), 56(11), 3595-7.
一般参考
1:

protein_accession:HMDBP01024

name:Pantothenate kinase 4

uniprot_id:Q9NVE7

gene_name:PANK4

protein_type:Enzyme

2:

protein_accession:HMDBP01025

name:Pantothenate kinase 2, mitochondrial

uniprot_id:Q9BZ23

gene_name:PANK2

protein_type:Unknown

3:

protein_accession:HMDBP01026

name:Pantothenate kinase 1

uniprot_id:Q8TE04

gene_name:PANK1

protein_type:Enzyme

4:

protein_accession:HMDBP01027

name:Pantothenate kinase 3

uniprot_id:Q9H999

gene_name:PANK3

protein_type:Enzyme

5:

protein_accession:HMDBP01934

name:Pantetheinase

uniprot_id:O95497

gene_name:VNN1

protein_type:Enzyme

6:

protein_accession:HMDBP12002

name:Vascular non-inflammatory molecule 2

uniprot_id:O95498

gene_name:VNN2

protein_type:Unknown

7:

protein_accession:HMDBP12003

name:Vascular non-inflammatory molecule 3

uniprot_id:Q9NY84

gene_name:VNN3

protein_type:Unknown

蛋白质结合
1:

reference_text:Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762.

pubmed_id:19212411

2:

reference_text:Shoemaker JD, Elliott WH: Automated screening of urine samples for carbohydrates, organic and amino acids after treatment with urease. J Chromatogr. 1991 Jan 2;562(1-2):125-38.

pubmed_id:2026685

3:

reference_text:Loftus EV Jr, Tremaine WJ, Nelson RA, Shoemaker JD, Sandborn WJ, Phillips SF, Hasan Y: Dexpanthenol enemas in ulcerative colitis: a pilot study. Mayo Clin Proc. 1997 Jul;72(7):616-20.

pubmed_id:9212762

4:

reference_text:Fry PC, Fox HM, Tao HG: Metabolic response to a pantothenic acid deficient diet in humans. J Nutr Sci Vitaminol (Tokyo). 1976;22(4):339-46.

pubmed_id:1011047

5:

reference_text:Roth-Maier DA, Wauer A, Stangl GI, Kirchgessner M: Precaecal digestibility of niacin and pantothenic acid from different foods. Int J Vitam Nutr Res. 2000 Jan;70(1):8-13.

pubmed_id:10683755

6:

reference_text:Preibisz J, Chlewicka I: [Digitalis treatment in acute myocardial infarct. Determination of serum drug levels]. Pol Arch Med Wewn. 1977 Dec;58(6):585-91.

pubmed_id:600836

7:

reference_text:Guilarte TR: A radiometric microbiological assay for pantothenic acid in biological fluids. Anal Biochem. 1989 Apr;178(1):63-6.

pubmed_id:2499220

8:

reference_text:Srinivasan V, Christensen N, Wyse BW, Hansen RG: Pantothenic acid nutritional status in the elderly--institutionalized and noninstitutionalized. Am J Clin Nutr. 1981 Sep;34(9):1736-42.

pubmed_id:7025609

9:

reference_text:Eissenstat BR, Wyse BW, Hansen RG: Pantothenic acid status of adolescents. Am J Clin Nutr. 1986 Dec;44(6):931-7.

pubmed_id:3788840

10:

reference_text:Dastur DK, Santhadevi N, Quadros EV, Avari FC, Wadia NH, Desai MN, Bharucha EP: The B-vitamins in malnutrition with alcoholism. A model of intervitamin relationships. Br J Nutr. 1976 Sep;36(2):143-59.

pubmed_id:182198

11:

reference_text:Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043.

pubmed_id:32033212

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