dTMP (CHEBI:17013)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	dTMP

ChEBI ID	CHEBI:17013

Definition	The neutral species of thymidine 5'-monophosphate (2'-deoxythymidine 5'-monophosphate).

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:45926, CHEBI:46036, CHEBI:46013, CHEBI:47711, CHEBI:45759, CHEBI:45762, CHEBI:45772, CHEBI:10529, CHEBI:14092, CHEBI:15246, CHEBI:63549

Supplier Information	ChemicalBook:CB7852954, eMolecules:478134, ZINC000000895323

Download	Molfile XML SDF

more structures >>

Wikipedia	License
Phenylacetaldehyde is an organic compound used in the synthesis of fragrances and polymers. Phenylacetaldehyde is an aldehyde that consists of acetaldehyde bearing a phenyl substituent; the parent member of the phenylacetaldehyde class of compounds. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is an alpha-CH2-containing aldehyde and a member of phenylacetaldehydes. Phenylacetaldehyde is one important oxidation-related aldehyde. Exposure to styrene gives phenylacetaldehyde as a secondary metabolite. Styrene has been implicated as reproductive toxicant, neurotoxicant, or carcinogen in vivo or in vitro. Phenylacetaldehyde could be formed by diverse thermal reactions during the cooking process together with C8 compounds is identified as a major aroma–active compound in cooked pine mushroom. Phenylacetaldehyde is readily oxidized to phenylacetic acid. Therefore will eventually be hydrolyzed and oxidized to yield phenylacetic acid that will be excreted primarily in the urine in conjugated form.
Read full article at Wikipedia

Formula

C10H15N2O8P

Net Charge

Average Mass

322.20850

Monoisotopic Mass

322.05660

InChI

InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1

InChIKey

GYOZYWVXFNDGLU-XLPZGREQSA-N

SMILES

Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:txid4932)	Source: yeast.sf.net See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Biological Role(s):	fundamental metabolite Any metabolite produced by all living cells.

ChEBI Ontology
Outgoing	dTMP (CHEBI:17013) has role fundamental metabolite (CHEBI:78675) dTMP (CHEBI:17013) is a thymidine 5'-monophosphate (CHEBI:15245) dTMP (CHEBI:17013) is conjugate acid of dTMP⁻ (CHEBI:46960) dTMP (CHEBI:17013) is enantiomer of 1-(2-deoxy-5-O-phosphono-β-L-ribofuranosyl)thymine (CHEBI:42112)

Incoming	5,6-dihydrothymidine 5'-monophosphate (CHEBI:132172) has functional parent dTMP (CHEBI:17013) p-nitrophenyl thymidine 5'-monophosphate (CHEBI:74144) has functional parent dTMP (CHEBI:17013) dTMP⁻ (CHEBI:46960) is conjugate base of dTMP (CHEBI:17013) 1-(2-deoxy-5-O-phosphono-β-L-ribofuranosyl)thymine (CHEBI:42112) is enantiomer of dTMP (CHEBI:17013) dTMP 3'-end residue (CHEBI:53118) is substituent group from dTMP (CHEBI:17013) dTMP 5'-end residue (CHEBI:53102) is substituent group from dTMP (CHEBI:17013) thymidine 5'-monophosphate residue (CHEBI:50300) is substituent group from dTMP (CHEBI:17013)

IUPAC Names

2'-deoxy-5-methyluridine 5'-(dihydrogen phosphate)

5'-thymidylic acid

Synonyms	Sources
(dT)₁	ChEBI
5'-Thymidylic acid	KEGG COMPOUND
5'-TMP	ChemIDplus
5-methyl-dUMP	ChemIDplus
deoxyribosylthymine monophosphate	ChemIDplus
ribothymidine 5'-monophosphate	ChEBI
thymidine 5'-(dihydrogen phosphate)	CBN
Thymidine 5'-phosphate	KEGG COMPOUND
thymidine 5'-phosphoric acid	ChemIDplus
Thymidine monophosphate	KEGG COMPOUND
thymidine-5'-monophosphoric acid	ChemIDplus
THYMIDINE-5'-PHOSPHATE	PDBeChem
Thymidylate	KEGG COMPOUND
Thymidylic acid	KEGG COMPOUND
TMP	ChEBI

Last Modified

14 June 2016