创建日期
2005-11-16 15:48:42 UTC
更新日期
2021-09-07 16:24:14 UTC
描述
Thymine, also known as 5-methyluracil, belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Thymine was first isolated in 1893 by Albrecht Kossel and Albert Neumann from calves' thymus glands, hence its name. Thymine is one of the 4 nuelcoebases found in DNA and is essential to all life. Thymine exists in all living species, ranging from bacteria to plants to humans. Thymine combined with deoxyribose creates the nucleoside deoxythymidine (also called thymidine) which when phosphorylated to dTDP can be incorporated into DNA via DNA polymerases. Thymidine can be phosphorylated with up to three phosphoric acid groups, producing dTMP (deoxythymidine monophosphate) dTDP and/or dTTP. In RNA thymine is replaced with uracil in most cases. In DNA, thymine binds to adenine via two hydrogen bonds to assist in stabilizing the nucleic acid structures. Within humans, thymine participates in a number of enzymatic reactions. In particular, thymine and deoxyribose 1-phosphate can be biosynthesized from thymidine through its interaction with the enzyme thymidine phosphorylase. In addition, thymine can be converted into dihydrothymine; which is mediated by the enzyme dihydropyrimidine dehydrogenase [NADP(+)].
同义词
1:2,4-Dihydroxy-5-methylpyrimidine
2:5-Methyl-2,4(1H,3H)-pyrimidinedione
3:5-Methylpyrimidine-2,4(1H,3H)-dione
4:5-Methyluracil
5:T
6:Thy
7:Thymin
8:4-Hydroxy-5-methylpyrimidin-2(1H)-one
9:5-Methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
10:5-Methyl-2,4-dihydroxypyrimidine
11:5-Methylpyrimidine-2,4-dione
12:5 Methyluracil
化学名称
5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
代谢物结构字符串
CC1=CNC(=O)NC1=O
inchi标识符
InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
印记键
RWQNBRDOKXIBIV-UHFFFAOYSA-N
分类学
description: belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
description:Hydroxypyrimidines
kingdom:Organic compounds
super_class:Organoheterocyclic compounds
class:Diazines
sub_class:Pyrimidines and pyrimidine derivatives
molecular_framework:Aromatic heteromonocyclic compounds
1:Azacyclic compounds
2:Heteroaromatic compounds
3:Hydrocarbon derivatives
4:Organonitrogen compounds
5:Organooxygen compounds
6:Organopnictogen compounds
7:Aromatic heteromonocyclic compound
8:Azacycle
9:Heteroaromatic compound
10:Hydrocarbon derivative
11:Hydroxypyrimidine
12:Organic nitrogen compound
13:Organic oxygen compound
14:Organonitrogen compound
15:Organooxygen compound
16:Organopnictogen compound
17:a pyrimidine base
18:a pyrimidine-related compound
19:pyrimidine nucleobase
20:pyrimidines
21:pyrimidone
本体论
term:Physiological effect
definition:The effect on an organism physiology, resulting from its exposure to a chemical.
parent_id:
level:1
type:parent
term:Health effect
definition:A health condition or observation associated with a stimuli or with a biological activity of a chemical.
parent_id:7693
*level:2
type:parent
term:Observation
definition:A short term health effect which reflects the reponse of the body to stimuli or is a symptom of a disease or condition; also includes health status which reflects stage in life.
parent_id:7694
**level:3
type:parent
term:Periodontal Probing Depth
definition:
parent_id:7717
***level:4
type:child
term:Health condition
definition:A health effect that consists on short or long-term disease, condition, disorder, syndrome or constant abnormality.
parent_id:7694
**level:3
type:parent
term:Beta-ureidopropionase deficiency
definition:
parent_id:7695
***level:4
type:child
term:Thymidine treatment
definition:
parent_id:7695
***level:4
type:child
term:Metabolism and nutrition disorders
definition:A group of disorders, inherited or not, that result in a metabolic malfunction.
parent_id:7695
***level:4
type:parent
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:Route of exposure
definition:A mean by which a chemical agent comes in contact with an organism, either under intended or unintended circumstances.
parent_id:7724
*level:2
type:parent
term:Enteral
definition:Chemical exposure via the alimentary canal (mouth to anus).
parent_id:7743
**level:3
type:parent
term:Ingestion
definition:Chemical exposure facilitated by entry through the mouth.
parent_id:7744
***level:4
type:child
synonym:Digestion
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:Food
definition:
parent_id:7735
**level:3
type:child
term:Biological
definition:A living organism (species or a higher taxonomy rank), in which a chemical can be found.
parent_id:7735
**level:3
type:parent
term:Animal
definition:A living organism belonging to the kingdom animalia. it feeds on organic matter, typically having specialized sense organs and nervous system and able to respond rapidly to stimuli.
parent_id:7736
***level:4
type:child
synonym:Fauna
term:Plant
definition:A living organism belonging to the kingdom plantea. typically, it grows in a permanent site, absorbs water and inorganic substances through its roots, and synthesizes nutrients in its leaves by photosynthesis using the green pigment chlorophyll. examples incude trees, shrubs, herbs, grasses, ferns, and mosses.
parent_id:7736
***level:4
type:parent
synonym:Flora
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:Skin
definition:An organ that constitutes the external surface of the body. it consists of the epidermis, dermis, and skin appendages. (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: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: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:Cell
definition:
parent_id:7732
***level:4
type:parent
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: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:Metabolite
definition:A chemical substance produced during metabolism process, as an intermediate or end-product.
parent_id:7672
**level:3
type:child
term:Industrial application
definition:The assumed function of a chemical utilized by human.
parent_id:7671
*level:2
type:parent
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
实验性质
1:
kind:water_solubility
value:3.82 mg/mL
source:YALKOWSKY,SH & DANNENFELSER,RM (1992)
2:
kind:logp
value:-0.62
source:HANSCH,C ET AL. (1995)
3:
kind:melting_point
value:320 °C
source:
预测性质
1:
kind:logp
value:-0.99
source:ALOGPS
2:
kind:logs
value:-1.07
source:ALOGPS
3:
kind:solubility
value:10.8 g/L
source:ALOGPS
4:
kind:logp
value:-0.46
source:ChemAxon
5:
kind:pka_strongest_acidic
value:9.06
source:ChemAxon
6:
kind:pka_strongest_basic
value:-5
source:ChemAxon
7:
kind:iupac
value:5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
source:ChemAxon
8:
kind:average_mass
value:126.1133
source:ChemAxon
9:
kind:mono_mass
value:126.042927446
source:ChemAxon
10:
kind:smiles
value:CC1=CNC(=O)NC1=O
source:ChemAxon
11:
kind:formula
value:C5H6N2O2
source:ChemAxon
12:
kind:inchi
value:InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
source:ChemAxon
13:
kind:inchikey
value:RWQNBRDOKXIBIV-UHFFFAOYSA-N
source:ChemAxon
14:
kind:polar_surface_area
value:58.2
source:ChemAxon
15:
kind:refractivity
value:30.33
source:ChemAxon
16:
kind:polarizability
value:11.42
source:ChemAxon
17:
kind:rotatable_bond_count
value:0
source:ChemAxon
18:
kind:acceptor_count
value:2
source:ChemAxon
19:
kind:donor_count
value:2
source:ChemAxon
20:
kind:physiological_charge
value:0
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
1:
type:Specdb::EiMs
spectrum_id:1326
2:
type:Specdb::NmrTwoD
spectrum_id:1245
3:
type:Specdb::CMs
spectrum_id:502
4:
type:Specdb::CMs
spectrum_id:503
5:
type:Specdb::CMs
spectrum_id:504
6:
type:Specdb::CMs
spectrum_id:1108
7:
type:Specdb::CMs
spectrum_id:3444
8:
type:Specdb::CMs
spectrum_id:29559
9:
type:Specdb::CMs
spectrum_id:30235
10:
type:Specdb::CMs
spectrum_id:30700
11:
type:Specdb::CMs
spectrum_id:30936
12:
type:Specdb::CMs
spectrum_id:31107
13:
type:Specdb::CMs
spectrum_id:32328
14:
type:Specdb::CMs
spectrum_id:137189
15:
type:Specdb::CMs
spectrum_id:144923
16:
type:Specdb::NmrOneD
spectrum_id:1222
17:
type:Specdb::NmrOneD
spectrum_id:1297
18:
type:Specdb::NmrOneD
spectrum_id:2565
19:
type:Specdb::NmrOneD
spectrum_id:3262
20:
type:Specdb::NmrOneD
spectrum_id:6322
21:
type:Specdb::NmrOneD
spectrum_id:6323
22:
type:Specdb::NmrOneD
spectrum_id:6324
23:
type:Specdb::NmrOneD
spectrum_id:6325
24:
type:Specdb::NmrOneD
spectrum_id:6326
25:
type:Specdb::NmrOneD
spectrum_id:6327
26:
type:Specdb::NmrOneD
spectrum_id:6328
27:
type:Specdb::NmrOneD
spectrum_id:6329
28:
type:Specdb::NmrOneD
spectrum_id:6330
29:
type:Specdb::NmrOneD
spectrum_id:6331
30:
type:Specdb::NmrOneD
spectrum_id:6332
31:
type:Specdb::NmrOneD
spectrum_id:6333
32:
type:Specdb::NmrOneD
spectrum_id:6334
33:
type:Specdb::NmrOneD
spectrum_id:6335
34:
type:Specdb::NmrOneD
spectrum_id:6336
35:
type:Specdb::NmrOneD
spectrum_id:6337
36:
type:Specdb::NmrOneD
spectrum_id:6338
37:
type:Specdb::NmrOneD
spectrum_id:6339
38:
type:Specdb::NmrOneD
spectrum_id:6340
39:
type:Specdb::NmrOneD
spectrum_id:6341
40:
type:Specdb::NmrOneD
spectrum_id:166498
41:
type:Specdb::MsMs
spectrum_id:454
42:
type:Specdb::MsMs
spectrum_id:455
43:
type:Specdb::MsMs
spectrum_id:456
44:
type:Specdb::MsMs
spectrum_id:3805
45:
type:Specdb::MsMs
spectrum_id:3806
46:
type:Specdb::MsMs
spectrum_id:3807
47:
type:Specdb::MsMs
spectrum_id:3808
48:
type:Specdb::MsMs
spectrum_id:3809
49:
type:Specdb::MsMs
spectrum_id:3810
50:
type:Specdb::MsMs
spectrum_id:3811
51:
type:Specdb::MsMs
spectrum_id:3812
52:
type:Specdb::MsMs
spectrum_id:3813
53:
type:Specdb::MsMs
spectrum_id:3814
54:
type:Specdb::MsMs
spectrum_id:3815
55:
type:Specdb::MsMs
spectrum_id:3819
56:
type:Specdb::MsMs
spectrum_id:3820
57:
type:Specdb::MsMs
spectrum_id:3821
58:
type:Specdb::MsMs
spectrum_id:20423
59:
type:Specdb::MsMs
spectrum_id:20424
60:
type:Specdb::MsMs
spectrum_id:20425
61:
type:Specdb::MsMs
spectrum_id:21974
62:
type:Specdb::MsMs
spectrum_id:21975
63:
type:Specdb::MsMs
spectrum_id:21976
64:
type:Specdb::MsMs
spectrum_id:438500
65:
type:Specdb::MsMs
spectrum_id:438501
生物学性质
1:
cellular:(1):Extracellular
2:
biospecimen:(1):Blood
biospecimen:(2):Cerebrospinal Fluid (CSF)
biospecimen:(3):Feces
biospecimen:(4):Saliva
biospecimen:(5):Urine
3:
tissue:(1):Epidermis
tissue:(2):Fibroblasts
tissue:(3):Placenta
tissue:(4):Prostate
4:
[1]:
name:Beta Ureidopropionase Deficiency
smpdb_id:SMP00172
kegg_map_id:
[2]:
name:Dihydropyrimidinase Deficiency
smpdb_id:SMP00178
kegg_map_id:
[3]:
name:MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy)
smpdb_id:SMP00202
kegg_map_id:
[4]:
name:Pyrimidine metabolism
smpdb_id:
kegg_map_id:map00240
[5]:
name:UMP Synthase Deficiency (Orotic Aciduria)
smpdb_id:SMP00219
kegg_map_id:
正常浓度
1:
biospecimen:Blood
concentration_value:
concentration_units:
subject_age:
subject_sex:
subject_condition:Normal
2:
biospecimen:Blood
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Both
subject_condition:Normal
3:
biospecimen:Cerebrospinal Fluid (CSF)
concentration_value:<5.0
concentration_units:uM
subject_age:Adult (>18 years old)
subject_sex:Both
subject_condition:Normal
4:
biospecimen:Cerebrospinal Fluid (CSF)
concentration_value:0.0 - 0.1
concentration_units:uM
subject_age:Adult (>18 years old)
subject_sex:Both
subject_condition:Normal
5:
biospecimen:Feces
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Both
subject_condition:Normal
6:
biospecimen:Feces
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Both
subject_condition:Normal
7:
biospecimen:Feces
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Both
subject_condition:Normal
8:
biospecimen:Feces
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Not Specified
subject_condition:Normal
9:
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:Not Specified
subject_sex:Not Specified
subject_condition:Normal
12:
biospecimen:Feces
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Both
subject_condition:Normal
13:
biospecimen:Saliva
concentration_value:5.91 +/- 11.2
concentration_units:uM
subject_age:Adult (>18 years old)
subject_sex:Female
subject_condition:Normal
14:
biospecimen:Saliva
concentration_value:1.81 +/- 2.51
concentration_units:uM
subject_age:Adult (>18 years old)
subject_sex:Both
subject_condition:Normal
15:
biospecimen:Saliva
concentration_value:8.82 +/- 13.15
concentration_units:uM
subject_age:Adult (>18 years old)
subject_sex:Both
subject_condition:Normal
16:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
17:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
18:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
19:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
20:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
21:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
22:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
23:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
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:2.89 +/- 4.53
concentration_units:uM
subject_age:Adult (>18 years old)
subject_sex:Female
subject_condition:Normal
27:
biospecimen:Saliva
concentration_value:3.51 +/- 3.10
concentration_units:uM
subject_age:Adult (>18 years old)
subject_sex:Both
subject_condition:Normal
28:
biospecimen:Saliva
concentration_value:0.655 +/- 1.44
concentration_units:uM
subject_age:Adult (>18 years old)
subject_sex:Both
subject_condition:Normal
29:
biospecimen:Urine
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Both
subject_condition:Normal
30:
biospecimen:Urine
concentration_value:0.10 (0.045-0.16)
concentration_units:umol/mmol creatinine
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
31:
biospecimen:Urine
concentration_value:0.16 (0.065-0.26)
concentration_units:umol/mmol creatinine
subject_age:Adult (>18 years old)
subject_sex:Female
subject_condition:Normal
32:
biospecimen:Urine
concentration_value:0-9
concentration_units:umol/mmol creatinine
subject_age:Children (1 - 18 years old)
subject_sex:Both
subject_condition:Normal
33:
biospecimen:Urine
concentration_value:<0.12
concentration_units:umol/mmol creatinine
subject_age:Infant (0-1 year old)
subject_sex:Both
subject_condition:Normal
34:
biospecimen:Urine
concentration_value:0.202
concentration_units:umol/mmol creatinine
subject_age:Adult (>18 years old)
subject_sex:Both
subject_condition:Normal
35:
biospecimen:Urine
concentration_value:0.791
concentration_units:umol/mmol creatinine
subject_age:Adult (>18 years old)
subject_sex:Both
subject_condition:Normal
36:
biospecimen:Urine
concentration_value:0-2
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:1390.0 +/- 150.0
concentration_units:uM
patient_age:Adult (>18 years old)
patient_sex:Both
patient_information:Solid tumors
2:
biospecimen:Cerebrospinal Fluid (CSF)
concentration_value:0.04 - 0.2
concentration_units:uM
patient_age:Adult (>18 years old)
patient_sex:Not Specified
patient_information:Beta-ureidopropionase deficiency
3:
biospecimen:Feces
concentration_value:
concentration_units:
patient_age:Adult (>18 years old)
patient_sex:Both
patient_information:Colorectal cancer
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:Saliva
concentration_value:
concentration_units:
patient_age:Adult (>18 years old)
patient_sex:Male
patient_information:Periodontal Probing Depth
7:
biospecimen:Saliva
concentration_value:2.61 +/- 2.39
concentration_units:uM
patient_age:Adult (>18 years old)
patient_sex:Both
patient_information:Temporomandibular joint disorder (TMD)
8:
biospecimen:Urine
concentration_value:343.024
concentration_units:umol/mmol creatinine
patient_age:Adult (>18 years old)
patient_sex:Female
patient_information:Dihydropyrimidine dehydrogenase (DPD) deficiency
9:
biospecimen:Urine
concentration_value:468.0684
concentration_units:umol/mmol creatinine
patient_age:Children (1 - 13 years old)
patient_sex:Male
patient_information:Dihydropyrimidine dehydrogenase (DPD) deficiency
疾病参考
1:
name:Thymidine treatment
omim_id:
[1]:
reference_text:Leyva A, Schornagel JH, Kraal I, Wadman SK, Pinedo HM: Clinical and biochemical studies of high-dose thymidine treatment in patients with solid tumors. J Cancer Res Clin Oncol. 1984;107(3):211-6.
pubmed_id:6736109
2:
name:Beta-ureidopropionase deficiency
omim_id:613161
[1]:
reference_text:van Kuilenburg AB, Meinsma R, Beke E, Assmann B, Ribes A, Lorente I, Busch R, Mayatepek E, Abeling NG, van Cruchten A, Stroomer AE, van Lenthe H, Zoetekouw L, Kulik W, Hoffmann GF, Voit T, Wevers RA, Rutsch F, van Gennip AH: beta-Ureidopropionase deficiency: an inborn error of pyrimidine degradation associated with neurological abnormalities. Hum Mol Genet. 2004 Nov 15;13(22):2793-801. Epub 2004 Sep 22.
pubmed_id:15385443
3:
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
4:
name:Temporomandibular joint disorder
omim_id:
[1]:
reference_text:Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
pubmed_id:
5:
name:Periodontal Probing Depth
omim_id:
[1]:
reference_text:Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26.
pubmed_id:31026179
6:
name:Dihydropyrimidine dehydrogenase deficiency
omim_id:274270
[1]:
reference_text:Van Kuilenburg AB, Stroomer AE, Van Lenthe H, Abeling NG, Van Gennip AH: New insights in dihydropyrimidine dehydrogenase deficiency: a pivotal role for beta-aminoisobutyric acid? Biochem J. 2004 Apr 1;379(Pt 1):119-24.
pubmed_id:14705962
[2]:
reference_text:Sumi S, Kidouchi K, Ohba S, Wada Y: Automated screening system for purine and pyrimidine metabolism disorders using high-performance liquid chromatography. J Chromatogr B Biomed Appl. 1995 Oct 20;672(2):233-9.
pubmed_id:8581129
[3]:
reference_text:Brockstedt M, Jakobs C, Smit LM, van Gennip AH, Berger R: A new case of dihydropyrimidine dehydrogenase deficiency. J Inherit Metab Dis. 1990;13(1):121-4.
pubmed_id:2109146
[4]:
reference_text:MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de)
pubmed_id:
综合参考
Zhang, Shi-Ying; Wu, Da-Jun; Zhang, Yan-Ping. Synthesis of thymine. Zhongguo Yiyao Gongye Zazhi (1999), 30(7), 325.
一般参考
1:
protein_accession:HMDBP00727
name:Dihydropyrimidine dehydrogenase [NADP(+)]
uniprot_id:Q12882
gene_name:DPYD
protein_type:Unknown
2:
protein_accession:HMDBP03818
name:Thymidine phosphorylase
uniprot_id:P19971
gene_name:TYMP
protein_type:Enzyme
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:Eells JT, Spector R: Purine and pyrimidine base and nucleoside concentrations in human cerebrospinal fluid and plasma. Neurochem Res. 1983 Nov;8(11):1451-7.
pubmed_id:6656991
3:
reference_text:Hofmann U, Schwab M, Seefried S, Marx C, Zanger UM, Eichelbaum M, Murdter TE: Sensitive method for the quantification of urinary pyrimidine metabolites in healthy adults by gas chromatography-tandem mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2003 Jul 5;791(1-2):371-80.
pubmed_id:12798197
4:
reference_text:van Lenthe H, van Kuilenburg AB, Ito T, Bootsma AH, van Cruchten A, Wada Y, van Gennip AH: Defects in pyrimidine degradation identified by HPLC-electrospray tandem mass spectrometry of urine specimens or urine-soaked filter paper strips. Clin Chem. 2000 Dec;46(12):1916-22.
pubmed_id:11106323
5:
reference_text:Allgayer H, Kolb M, Stuber V, Kruis W: Effects of bile acids on base hydroxylation in a model of human colonic mucosal DNA. Cancer Detect Prev. 2002;26(1):85-9.
pubmed_id:12088208
6:
reference_text:Goukassian D, Gad F, Yaar M, Eller MS, Nehal US, Gilchrest BA: Mechanisms and implications of the age-associated decrease in DNA repair capacity. FASEB J. 2000 Jul;14(10):1325-34.
pubmed_id:10877825
7:
reference_text:Wassberg C, Backvall H, Diffey B, Ponten F, Berne B: Enhanced epidermal ultraviolet responses in chronically sun-exposed skin are dependent on previous sun exposure. Acta Derm Venereol. 2003;83(4):254-61.
pubmed_id:12926795
8:
reference_text:Schilsky RL, O'Laughlin K, Ratain MJ: Phase I clinical and pharmacological study of thymidine (NSC 21548) and cis-diamminedichloroplatinum(II) in patients with advanced cancer. Cancer Res. 1986 Aug;46(8):4184-8.
pubmed_id:3731086
9:
reference_text:Maskell R, Okubadejo OA, Payne RH, Pead L: Human infections with thymine-requiring bacteria. J Med Microbiol. 1978 Feb;11(1):33-45.
pubmed_id:621731
10:
reference_text:Ling G, Chadwick CA, Berne B, Potten CS, Ponten J, Ponten F: Epidermal p53 response and repair of thymine dimers in human skin after a single dose of ultraviolet radiation: effects of photoprotection. Acta Derm Venereol. 2001 May;81(2):81-6.
pubmed_id:11501666
11:
reference_text:Young AR, Sheehan JM, Chadwick CA, Potten CS: Protection by ultraviolet A and B sunscreens against in situ dipyrimidine photolesions in human epidermis is comparable to protection against sunburn. J Invest Dermatol. 2000 Jul;115(1):37-41.
pubmed_id:10886505
12:
reference_text:Maskell R, Okubadejo OA, Payne RH: Thymine-requiring bacteria associated with co-trimoxazole therapy. Lancet. 1976 Apr 17;1(7964):834-5.
pubmed_id:56651
13:
reference_text:Courdavault S, Baudouin C, Sauvaigo S, Mouret S, Candeias S, Charveron M, Favier A, Cadet J, Douki T: Unrepaired cyclobutane pyrimidine dimers do not prevent proliferation of UV-B-irradiated cultured human fibroblasts. Photochem Photobiol. 2004 Feb;79(2):145-51.
pubmed_id:15068027
14:
reference_text:Alsarra IA, Alarifi MN: Validated liquid chromatographic determination of 5-fluorouracil in human plasma. J Chromatogr B Analyt Technol Biomed Life Sci. 2004 May 25;804(2):435-9.
pubmed_id:15081940
15:
reference_text:Castro-Gago M, Camina F, Lojo S, Rodriguez-Segade S, Rodriguez-Nunez A: Concentrations of purine nucleotides and purine and pyrimidine bases in cerebrospinal fluid of neurologically healthy children. Eur J Clin Chem Clin Biochem. 1992 Nov;30(11):761-5.
pubmed_id:1489848
16:
reference_text:Placzek M, Gaube S, Kerkmann U, Gilbertz KP, Herzinger T, Haen E, Przybilla B: Ultraviolet B-induced DNA damage in human epidermis is modified by the antioxidants ascorbic acid and D-alpha-tocopherol. J Invest Dermatol. 2005 Feb;124(2):304-7.
pubmed_id:15675947
17:
reference_text:Thienpont LM, Van Landuyt KG, Stockl D, Saeyens W, De Keukeleire D, De Leenheer AP: Evaluation of 2-iminoimidazolidin-4-one and thymine as respective internal standards for normal-phase and reversed-phase high-performance liquid chromatographic determination of creatinine in human serum. J Chromatogr B Biomed Appl. 1995 Mar 10;665(1):63-9.
pubmed_id:7795802
18:
reference_text:Rodriguez Ortner E, Hayes RB, Weissfeld J, Gelmann EP: Effect of homeodomain protein NKX3.1 R52C polymorphism on prostate gland size. Urology. 2006 Feb;67(2):311-5. Epub 2006 Jan 25.
pubmed_id:16442598
19:
reference_text:Antille C, Tran C, Sorg O, Carraux P, Didierjean L, Saurat JH: Vitamin A exerts a photoprotective action in skin by absorbing ultraviolet B radiation. J Invest Dermatol. 2003 Nov;121(5):1163-7.
pubmed_id:14708621
20:
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