人类代谢组数据库

版本

5.0

创建日期

2005-11-16 15:48:42 UTC

更新日期

2021-10-13 04:18:54 UTC

登录号

HMDB0000017

地位

quantified

二级访问

HMDB00017

名称

4-Pyridoxic acid

描述

4-Pyridoxic acid is a member of the class of compounds known as methylpyridines. More specifically it is a 2-methylpyridine derivative substituted by a hydroxy group at C-3, a carboxy group at C-4, and a hydroxymethyl group at C-5. 4-Pyridoxic acid is the catabolic product of vitamin B6 (also known as pyridoxine, pyridoxal and pyradoxamine) and is excreted in the urine. Urinary levels of 4-pyridoxic acid are lower in females than in males and will be reduced even further in persons with a riboflavin deficiency. 4-Pyridoxic acid is formed by the action of aldehyde oxidase I (an endogenous enzyme) and by microbial enzymes (pyridoxal 4-dehydrogenase), an NAD-dependent aldehyde dehydrogenase. 4-pyridoxic acid can be further broken down by the gut microflora via the enzyme known as 4-pyridoxic acid dehydrogenase. This enzyme catalyzes the four-electron oxidation of 4-pyridoxic acid to 3-hydroxy-2-methylpyridine-4,5-dicarboxylate, using nicotinamide adenine dinucleotide (NAD) as a cofactor.

同义词

1:2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine

2:3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid

3:3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid

4:4-Pyridoxinecarboxylic acid

5:4-Pyridoxinic acid

6:4-Pyridoxinsaeure

7:4-Pyridoxylic acid

8:Pyridoxic acid

9:3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylate

10:3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinate

11:4-Pyridoxinecarboxylate

12:4-Pyridoxinate

13:4-Pyridoxylate

14:Pyridoxate

15:4-Pyridoxate

16:3-Hydroxy-5-(hydroxymethyl)-2-methyl-isonicotinate

17:3-Hydroxy-5-(hydroxymethyl)-2-methyl-isonicotinic acid

18:3-Hydroxy-5-hydroxymethyl-2-methyl-isonicotinate

19:3-Hydroxy-5-hydroxymethyl-2-methyl-isonicotinic acid

20:3-Hydroxy-5-hydroxymethyl-2-methyl-isonicotinsaeure

21:4 Pyridoxinic acid

22:Pyridoxinecarboxylic acid

23:4 Pyridoxylic acid

24:4 Pyridoxic acid

化学式

C8H9NO4

平均分子量

183.1614

等位分子量

183.053157781

化学名称

3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid

传统名称

pyridoxic acid

CAS 登记号

82-82-6

代谢物结构字符串

CC1=NC=C(CO)C(C(O)=O)=C1O

inchi标识符

InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)

印记键

HXACOUQIXZGNBF-UHFFFAOYSA-N

分类学

description: belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group.

description:Pyridinecarboxylic acids

kingdom:Organic compounds

super_class:Organoheterocyclic compounds

class:Pyridines and derivatives

sub_class:Pyridinecarboxylic acids and derivatives

molecular_framework:Aromatic heteromonocyclic compounds

1:Aromatic alcohols

2:Azacyclic compounds

3:Carboxylic acids

4:Heteroaromatic compounds

5:Hydrocarbon derivatives

6:Hydroxypyridines

7:Methylpyridines

8:Monocarboxylic acids and derivatives

9:Organic oxides

10:Organonitrogen compounds

11:Organopnictogen compounds

12:Primary alcohols

13:Vinylogous acids

14:Alcohol

15:Aromatic alcohol

16:Aromatic heteromonocyclic compound

17:Azacycle

18:Carboxylic acid

19:Carboxylic acid derivative

20:Heteroaromatic compound

21:Hydrocarbon derivative

22:Hydroxypyridine

23:Methylpyridine

24:Monocarboxylic acid or derivatives

25:Organic nitrogen compound

26:Organic oxide

27:Organic oxygen compound

28:Organonitrogen compound

29:Organooxygen compound

30:Organopnictogen compound

31:Primary alcohol

32:Pyridine carboxylic acid

33:Vinylogous acid

34:hydroxymethylpyridine

35:methylpyridines

36:monohydroxypyridine

37:vitamin B6

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:Endogenous

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: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:Bladder

definition:The distensible sac-like organ that functions as a reservoir of urine, collecting from the kidneys and eliminating via the urethra. (nci).

parent_id:7727

***level:4

type:child

term:Kidney

definition:The organs of the urinary tract located in the retroperitoneal cavity adjacent to the spine and composed of the renal cortex and the renal medulla. (nci).

parent_id:7727

***level:4

type:child

synonym:Kidneys

term:Biofluid and excreta

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

parent_id:7725

**level:3

type:parent

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:Urine

definition:Excretion in liquid state processed by the kidney.

parent_id:7731

***level:4

type:child

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:Subcellular

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

parent_id:7725

**level:3

type:parent

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: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: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

状态

Solid

实验性质

kind:water_solubility

value:4337 mg/L @ 25 °C (est)

source:The Good Scents Company Information System

kind:melting_point

value:247 - 248 °C

source:

预测性质

kind:logp

value:-0.08

source:ALOGPS

kind:logs

value:-1.32

source:ALOGPS

kind:solubility

value:8.71 g/L

source:ALOGPS

kind:logp

value:-0.75

source:ChemAxon

kind:pka_strongest_acidic

value:2.55

source:ChemAxon

kind:pka_strongest_basic

value:4.09

source:ChemAxon

kind:iupac

value:3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid

source:ChemAxon

kind:average_mass

value:183.1614

source:ChemAxon

kind:mono_mass

value:183.053157781

source:ChemAxon

10:

kind:smiles

value:CC1=NC=C(CO)C(C(O)=O)=C1O

source:ChemAxon

11:

kind:formula

value:C8H9NO4

source:ChemAxon

12:

kind:inchi

value:InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)

source:ChemAxon

13:

kind:inchikey

value:HXACOUQIXZGNBF-UHFFFAOYSA-N

source:ChemAxon

14:

kind:polar_surface_area

value:90.65

source:ChemAxon

15:

kind:refractivity

value:44.55

source:ChemAxon

16:

kind:polarizability

value:17.19

source:ChemAxon

17:

kind:rotatable_bond_count

value:2

source:ChemAxon

18:

kind:acceptor_count

value:5

source:ChemAxon

19:

kind:donor_count

value:3

source:ChemAxon

20:

kind:physiological_charge

value:-1

source:ChemAxon

21:

kind:formal_charge

value:0

source:ChemAxon

22:

kind:number_of_rings

value:1

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

type:Specdb::NmrTwoD

spectrum_id:925

type:Specdb::NmrOneD

spectrum_id:1032

type:Specdb::NmrOneD

spectrum_id:166315

type:Specdb::NmrOneD

spectrum_id:166391

type:Specdb::NmrOneD

spectrum_id:166392

type:Specdb::NmrOneD

spectrum_id:166554

type:Specdb::NmrOneD

spectrum_id:166556

type:Specdb::CMs

spectrum_id:1679

type:Specdb::CMs

spectrum_id:18018

10:

type:Specdb::CMs

spectrum_id:30952

11:

type:Specdb::CMs

spectrum_id:32212

12:

type:Specdb::CMs

spectrum_id:37246

13:

type:Specdb::CMs

spectrum_id:133066

14:

type:Specdb::CMs

spectrum_id:140800

15:

type:Specdb::MsMs

spectrum_id:6161

16:

type:Specdb::MsMs

spectrum_id:438691

17:

type:Specdb::MsMs

spectrum_id:439258

18:

type:Specdb::MsMs

spectrum_id:440067

19:

type:Specdb::MsMs

spectrum_id:2232064

20:

type:Specdb::MsMs

spectrum_id:2232144

21:

type:Specdb::MsMs

spectrum_id:2253183

22:

type:Specdb::MsMs

spectrum_id:2253265

23:

type:Specdb::MsMs

spectrum_id:2255219

24:

type:Specdb::MsMs

spectrum_id:2255279

25:

type:Specdb::MsMs

spectrum_id:2255306

26:

type:Specdb::MsMs

spectrum_id:2255365

27:

type:Specdb::MsMs

spectrum_id:2257214

28:

type:Specdb::MsMs

spectrum_id:2257348

29:

type:Specdb::MsMs

spectrum_id:2259198

30:

type:Specdb::MsMs

spectrum_id:2259382

31:

type:Specdb::MsMs

spectrum_id:6154

32:

type:Specdb::MsMs

spectrum_id:6155

33:

type:Specdb::MsMs

spectrum_id:6156

34:

type:Specdb::MsMs

spectrum_id:6157

35:

type:Specdb::MsMs

spectrum_id:6158

36:

type:Specdb::MsMs

spectrum_id:6159

37:

type:Specdb::MsMs

spectrum_id:6160

38:

type:Specdb::MsMs

spectrum_id:446837

39:

type:Specdb::MsMs

spectrum_id:446838

光谱

生物学性质

cellular:(1):Cytoplasm

cellular:(2):Extracellular

biospecimen:(1):Blood

biospecimen:(2):Cerebrospinal Fluid (CSF)

biospecimen:(3):Feces

biospecimen:(4):Saliva

biospecimen:(5):Urine

tissue:(1):Bladder

tissue:(2):Erythrocyte

tissue:(3):Kidney

tissue:(4):Liver

tissue:(5):Placenta

[1]:

name:Hypophosphatasia

smpdb_id:SMP00503

kegg_map_id:

[2]:

name:Vitamin B6 Metabolism

smpdb_id:SMP00017

kegg_map_id:map00750

正常浓度

biospecimen:Blood

concentration_value:0.027 (0.0062-3.14)

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

biospecimen:Blood

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

biospecimen:Blood

concentration_value:0.040 +/- 0.007

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

biospecimen:Blood

concentration_value:0.0071 +/- 0.005

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

biospecimen:Blood

concentration_value:0.0097 +/- 0.00665

concentration_units:uM

subject_age:Adult (>18 years old)

subject_sex:Male

subject_condition:Normal

biospecimen:Blood

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

biospecimen:Blood

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

biospecimen:Cerebrospinal Fluid (CSF)

concentration_value:0.00009-0.00300

concentration_units:uM

subject_age:Children (1-13 years old)

subject_sex:Not Specified

subject_condition:Normal

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

10:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

11:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

12:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Children (6 - 18 years old)

subject_sex:Not Specified

subject_condition:Normal

13:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Infant (0-1 year old)

subject_sex:Not Specified

subject_condition:Normal

14:

biospecimen:Feces

concentration_value:

concentration_units:

subject_age:Infant (0-1 year old)

subject_sex:Not Specified

subject_condition:Normal

15:

biospecimen:Saliva

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

16:

biospecimen:Urine

concentration_value:> 0.33

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Female

subject_condition:Normal

17:

biospecimen:Urine

concentration_value:0.78 +/- 0.45

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

18:

biospecimen:Urine

concentration_value:3.1 (0.4-7.5)

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

19:

biospecimen:Urine

concentration_value:5.975 +/- 2.873

concentration_units:umol/mmol creatinine

subject_age:Children (1 - 13 years old)

subject_sex:Not Specified

subject_condition:Normal

20:

biospecimen:Urine

concentration_value:0.157 +/- 0.0613

concentration_units:umol/mmol creatinine

subject_age:Children (1 - 13 years old)

subject_sex:Both

subject_condition:Normal

21:

biospecimen:Urine

concentration_value:0.245 +/- 0.0873

concentration_units:umol/mmol creatinine

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

22:

biospecimen:Urine

concentration_value:0.407 +/- 0.173

concentration_units:umol/mmol creatinine

subject_age:Adolescent (13-18 years old)

subject_sex:Female

subject_condition:Normal

23:

biospecimen:Urine

concentration_value:0.420 +/- 0.187

concentration_units:umol/mmol creatinine

subject_age:Adolescent (13-18 years old)

subject_sex:Male

subject_condition:Normal

24:

biospecimen:Urine

concentration_value:> 3.0

concentration_units:umol/mmol creatinine

subject_age:Children (1-13 years old)

subject_sex:Both

subject_condition:Normal

25:

biospecimen:Urine

concentration_value:

concentration_units:

subject_age:Adult (>18 years old)

subject_sex:Both

subject_condition:Normal

26:

biospecimen:Urine

concentration_value:2.99 +/- 5.25

concentration_units:umol/mmol creatinine

subject_age:Infant (0-1 year old)

subject_sex:Both

subject_condition:Normal

异常浓度

biospecimen:Blood

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal adenoma

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Crohns disease

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Iron deficiency

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal cancer

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (6 - 18 years old)

patient_sex:Both

patient_information:Crohns disease

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (6 - 18 years old)

patient_sex:Both

patient_information:Ulcerative colitis

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (6 - 18 years old)

patient_sex:Not Specified

patient_information:Crohns disease

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (6 - 18 years old)

patient_sex:Not Specified

patient_information:Ulcerative colitis

10:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Children (6 - 18 years old)

patient_sex:Not Specified

patient_information:Unclassified IBD

11:

biospecimen:Feces

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal Cancer

12:

biospecimen:Urine

concentration_value:5.701 +/- 3.878

concentration_units:umol/mmol creatinine

patient_age:Children (1 - 13 years old)

patient_sex:Not Specified

patient_information:Eosinophilic esophagitis

13:

biospecimen:Urine

concentration_value:1414.9 +/- 737.8

concentration_units:umol/mmol creatinine

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Critically ill

14:

biospecimen:Urine

concentration_value:

concentration_units:

patient_age:Adult (>18 years old)

patient_sex:Both

patient_information:Colorectal adenoma

疾病参考

name:Crohn's disease

omim_id:266600

[1]:

reference_text:Lapidus A, Akerlund JE, Einarsson C: Gallbladder bile composition in patients with Crohn 's disease. World J Gastroenterol. 2006 Jan 7;12(1):70-4.

pubmed_id:16440420

[2]:

reference_text:Ehrenpreis ED, Salvino M, Craig RM: Improving the serum D-xylose test for the identification of patients with small intestinal malabsorption. J Clin Gastroenterol. 2001 Jul;33(1):36-40.

pubmed_id:11418788

[3]:

reference_text:Brydon WG, Nyhlin H, Eastwood MA, Merrick MV: Serum 7 alpha-hydroxy-4-cholesten-3-one and selenohomocholyltaurine (SeHCAT) whole body retention in the assessment of bile acid induced diarrhoea. Eur J Gastroenterol Hepatol. 1996 Feb;8(2):117-23.

pubmed_id:8723414

[4]:

reference_text:Williams HR, Cox IJ, Walker DG, North BV, Patel VM, Marshall SE, Jewell DP, Ghosh S, Thomas HJ, Teare JP, Jakobovits S, Zeki S, Welsh KI, Taylor-Robinson SD, Orchard TR: Characterization of inflammatory bowel disease with urinary metabolic profiling. Am J Gastroenterol. 2009 Jun;104(6):1435-44. doi: 10.1038/ajg.2009.175. Epub 2009 Apr 28.

pubmed_id:19491857

[5]:

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

[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

name:Iron deficiency

omim_id:

[1]:

reference_text:Canatan D, Akdeniz SK: Iron and ferritin levels in saliva of patients with thalassemia and iron deficiency anemia. Mediterr J Hematol Infect Dis. 2012;4(1):e2012051. doi: 10.4084/MJHID.2012.051. Epub 2012 Aug 9.

pubmed_id:22973495

[2]:

reference_text:Mishra OP, Agarwal KN, Agarwal RM: Salivary iron status in children with iron deficiency and iron overload. J Trop Pediatr. 1992 Apr;38(2):64-7.

pubmed_id:1569637

[3]:

pubmed_id:26848182

name:Colorectal cancer

omim_id:114500

[1]:

reference_text:Ishiwata S, Itoh K, Yamaguchi T, Ishida N, Mizugaki M: Comparison of serum and urinary levels of modified nucleoside, 1-methyladenosine, in cancer patients using a monoclonal antibody-based inhibition ELISA. Tohoku J Exp Med. 1995 May;176(1):61-8.

pubmed_id:7482520

[2]:

reference_text:Monleon D, Morales JM, Barrasa A, Lopez JA, Vazquez C, Celda B: Metabolite profiling of fecal water extracts from human colorectal cancer. NMR Biomed. 2009 Apr;22(3):342-8. doi: 10.1002/nbm.1345.

pubmed_id:19006102

[3]:

reference_text:Weir TL, Manter DK, Sheflin AM, Barnett BA, Heuberger AL, Ryan EP: Stool microbiome and metabolome differences between colorectal cancer patients and healthy adults. PLoS One. 2013 Aug 6;8(8):e70803. doi: 10.1371/journal.pone.0070803. Print 2013.

pubmed_id:23940645

[4]:

reference_text:Phua LC, Chue XP, Koh PK, Cheah PY, Ho HK, Chan EC: Non-invasive fecal metabonomic detection of colorectal cancer. Cancer Biol Ther. 2014 Apr;15(4):389-97. doi: 10.4161/cbt.27625. Epub 2014 Jan 14.

pubmed_id:24424155

[5]:

reference_text:Ritchie SA, Ahiahonu PW, Jayasinghe D, Heath D, Liu J, Lu Y, Jin W, Kavianpour A, Yamazaki Y, Khan AM, Hossain M, Su-Myat KK, Wood PL, Krenitsky K, Takemasa I, Miyake M, Sekimoto M, Monden M, Matsubara H, Nomura F, Goodenowe DB: Reduced levels of hydroxylated, polyunsaturated ultra long-chain fatty acids in the serum of colorectal cancer patients: implications for early screening and detection. BMC Med. 2010 Feb 15;8:13. doi: 10.1186/1741-7015-8-13.

pubmed_id:20156336

[6]:

reference_text:Qiu Y, Cai G, Su M, Chen T, Zheng X, Xu Y, Ni Y, Zhao A, Xu LX, Cai S, Jia W: Serum metabolite profiling of human colorectal cancer using GC-TOFMS and UPLC-QTOFMS. J Proteome Res. 2009 Oct;8(10):4844-50. doi: 10.1021/pr9004162.

pubmed_id:19678709

[7]:

reference_text:Cheng Y, Xie G, Chen T, Qiu Y, Zou X, Zheng M, Tan B, Feng B, Dong T, He P, Zhao L, Zhao A, Xu LX, Zhang Y, Jia W: Distinct urinary metabolic profile of human colorectal cancer. J Proteome Res. 2012 Feb 3;11(2):1354-63. doi: 10.1021/pr201001a. Epub 2011 Dec 28.

pubmed_id:22148915

[8]:

reference_text:Ni Y, Xie G, Jia W: Metabonomics of human colorectal cancer: new approaches for early diagnosis and biomarker discovery. J Proteome Res. 2014 Sep 5;13(9):3857-70. doi: 10.1021/pr500443c. Epub 2014 Aug 14.

pubmed_id:25105552

[9]:

reference_text:Ikeda A, Nishiumi S, Shinohara M, Yoshie T, Hatano N, Okuno T, Bamba T, Fukusaki E, Takenawa T, Azuma T, Yoshida M: Serum metabolomics as a novel diagnostic approach for gastrointestinal cancer. Biomed Chromatogr. 2012 May;26(5):548-58. doi: 10.1002/bmc.1671. Epub 2011 Jul 20.

pubmed_id:21773981

[10]:

reference_text:Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18.

pubmed_id:25037050

[11]:

reference_text:Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016.

pubmed_id:27015276

[12]:

reference_text:Lin Y, Ma C, Liu C, Wang Z, Yang J, Liu X, Shen Z, Wu R: NMR-based fecal metabolomics fingerprinting as predictors of earlier diagnosis in patients with colorectal cancer. Oncotarget. 2016 May 17;7(20):29454-64. doi: 10.18632/oncotarget.8762.

pubmed_id:27107423

[13]:

reference_text:Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016.

pubmed_id:27275383

[14]:

reference_text:Wang X, Wang J, Rao B, Deng L: Gut flora profiling and fecal metabolite composition of colorectal cancer patients and healthy individuals. Exp Ther Med. 2017 Jun;13(6):2848-2854. doi: 10.3892/etm.2017.4367. Epub 2017 Apr 20.

pubmed_id:28587349

[15]:

reference_text:Silke Matysik, Caroline Ivanne Le Roy, Gerhard Liebisch, Sandrine Paule Claus. Metabolomics of fecal samples: A practical consideration. Trends in Food Science & Technology. Vol. 57, Part B, Nov. 2016, p.244-255: http://www.sciencedirect.com/science/article/pii/S0924224416301984

name:Ulcerative colitis

omim_id:

[1]:

reference_text:Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41. doi: 10.1093/nar/gkq1126. Epub 2010 Nov 8.

pubmed_id:21059682

[2]:

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]:

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]:

pubmed_id:23516449

[7]:

pubmed_id:23867873

[8]:

pubmed_id:24811995

[9]:

pubmed_id:25598765

[10]:

pubmed_id:26806034

[11]:

pubmed_id:26848182

[12]:

pubmed_id:27609529

[13]:

pubmed_id:28842642

name:Eosinophilic esophagitis

omim_id:610247

[1]:

reference_text:Mordechai, Hien, and David S. Wishart

pubmed_id:

KEGG数据库编号

C00847

DrugBank数据库编号

foodb数据库编号

FDB021874

ChemSpider数据库编号

6467

公共化学化合物编号

6723

PDB数据库编号

生物利益的化学实体数据库编号

17405

knapsack数据库编号

C00052160

维基百科编号

代谢途径的数据库编号

CPD-1112

苯酚资源管理器化合物数据库编号

比格数据库编号

36190

梅林编号

239

虚拟机身份证编号

4PYRDX

fbonto数据库编号

综合参考

Senkuma, Masahiko; Imada, Katsumi; Sato, Masatada. Preparation of 4-pyridoxic acid. Jpn. Kokai Tokkyo Koho (1992), 2 pp.

一般参考

protein_accession:HMDBP00126

name:Aldehyde oxidase

uniprot_id:Q06278

gene_name:AOX1

protein_type:Unknown

蛋白质结合

reference_text:Huang YC, Lan PH, Cheng CH, Lee BJ, Kan MN: Vitamin B6 intakes and status of mechanically ventilated critically ill patients in Taiwan. Eur J Clin Nutr. 2002 May;56(5):387-92.

pubmed_id:12001008

reference_text:Kodentsova VM, Vrzhesinskaia OA, Sokol'nikov AA, Beketova NA, Spirichev VB: [The effect of riboflavin supply on metabolism of water-soluble vitamins]. Vopr Med Khim. 1993 Sep-Oct;39(5):29-33.

pubmed_id:8279138

reference_text:Masse PG, Mahuren JD, Tranchant C, Dosy J: B-6 vitamers and 4-pyridoxic acid in the plasma, erythrocytes, and urine of postmenopausal women. Am J Clin Nutr. 2004 Oct;80(4):946-51.

pubmed_id:15447904

reference_text:Huang YC, Chang HH, Huang SC, Cheng CH, Lee BJ, Cheng SY, Su KH: Plasma pyridoxal 5'-phosphate is a significant indicator of immune responses in the mechanically ventilated critically ill. Nutrition. 2005 Jul-Aug;21(7-8):779-85.

pubmed_id:15975484

reference_text:Ericson KL, Mahuren JD, Zubovic YM, Coburn SP: Use of chlorite to improve HPLC detection of pyridoxal 5'-phosphate. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Sep 5;823(2):218-20.

pubmed_id:16054880

reference_text:Driskell JA, Chrisley BM: Plasma B-6 vitamer and plasma and urinary 4-pyridoxic acid concentrations in young women as determined using high performance liquid chromatography. Biomed Chromatogr. 1991 Sep;5(5):198-201.

pubmed_id:1742549

reference_text:Chiang EP, Smith DE, Selhub J, Dallal G, Wang YC, Roubenoff R: Inflammation causes tissue-specific depletion of vitamin B6. Arthritis Res Ther. 2005;7(6):R1254-62. Epub 2005 Sep 13.

pubmed_id:16277678

reference_text:Rybak ME, Pfeiffer CM: Clinical analysis of vitamin B(6): determination of pyridoxal 5'-phosphate and 4-pyridoxic acid in human serum by reversed-phase high-performance liquid chromatography with chlorite postcolumn derivatization. Anal Biochem. 2004 Oct 15;333(2):336-44.

pubmed_id:15450810

reference_text:Huang YC, Chang SJ, Chiu YT, Chang HH, Cheng CH: The status of plasma homocysteine and related B-vitamins in healthy young vegetarians and nonvegetarians. Eur J Nutr. 2003 Apr;42(2):84-90.

pubmed_id:12638029

10:

reference_text:Midttun O, Hustad S, Solheim E, Schneede J, Ueland PM: Multianalyte quantification of vitamin B6 and B2 species in the nanomolar range in human plasma by liquid chromatography-tandem mass spectrometry. Clin Chem. 2005 Jul;51(7):1206-16.

pubmed_id:15976101

11:

reference_text:Chang SJ, Huang YC, Hsiao LJ, Lee YC, Hsuen SY: Determination of vitamin B-6 estimated average requirement and recommended dietary allowance for children aged 7-12 years using vitamin B-6 intake, nutritional status and anthropometry. J Nutr. 2002 Oct;132(10):3130-4.

pubmed_id:12368406

12:

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

版本
创建日期
更新日期
登录号
地位
二级访问
名称
描述
同义词
化学式
平均分子量
等位分子量
化学名称
传统名称
CAS 登记号
代谢物结构字符串
inchi标识符
印记键
分类学
本体论
状态
实验性质
预测性质
光谱
生物学性质
正常浓度
异常浓度
疾病参考
KEGG数据库编号
DrugBank数据库编号
foodb数据库编号
ChemSpider数据库编号
公共化学化合物编号
PDB数据库编号
生物利益的化学实体数据库编号
knapsack数据库编号
维基百科编号
代谢途径的数据库编号
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
fbonto数据库编号
综合参考
一般参考
蛋白质结合

目录