CHEBI:37575 - thiamine(1+) monophosphate(2−)

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ChEBI Name thiamine(1+) monophosphate(2−)
ChEBI ID CHEBI:37575
ChEBI ASCII Name thiamine(1+) monophosphate(2-)
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H16N4O4PS
Net Charge -1
Average Mass 343.31976
Monoisotopic Mass 343.063
InChI InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p-1
InChIKey HZSAJDVWZRBGIF-UHFFFAOYSA-M
SMILES Cc1ncc(C[n+]2csc(CCOP([O-])([O-])=O)c2C)c(N)n1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing thiamine(1+) monophosphate(2−) (CHEBI:37575) has role human metabolite (CHEBI:77746)
thiamine(1+) monophosphate(2−) (CHEBI:37575) is a thiamine phosphate (CHEBI:26945)
thiamine(1+) monophosphate(2−) (CHEBI:37575) is conjugate base of thiamine(1+) monophosphate(1−) (CHEBI:37574)
Incoming thiamine(1+) monophosphate(1−) (CHEBI:37574) is conjugate acid of thiamine(1+) monophosphate(2−) (CHEBI:37575)
IUPAC Name
2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl phosphate
Synonym Source
thiamine phosphate UniProt
Registry Number Type Source
7232643 Beilstein Registry Number Beilstein
Last Modified
27 June 2014