CHEBI:37574 - thiamine(1+) monophosphate(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name thiamine(1+) monophosphate(1−)
ChEBI ID CHEBI:37574
ChEBI ASCII Name thiamine(1+) monophosphate(1-)
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:46189, CHEBI:15230, CHEBI:15231
Supplier Information
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Formula C12H17N4O4PS
Net Charge 0
Average Mass 344.32770
Monoisotopic Mass 344.07081
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)
InChIKey HZSAJDVWZRBGIF-UHFFFAOYSA-N
SMILES Cc1ncc(C[n+]2csc(CCOP(O)([O-])=O)c2C)c(N)n1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing thiamine(1+) monophosphate(1−) (CHEBI:37574) is a thiamine phosphate (CHEBI:26945)
thiamine(1+) monophosphate(1−) (CHEBI:37574) is conjugate acid of thiamine(1+) monophosphate(2−) (CHEBI:37575)
thiamine(1+) monophosphate(1−) (CHEBI:37574) is conjugate base of thiamine(1+) monophosphate (CHEBI:9533)
Incoming thiamine(1+) monophosphate (CHEBI:9533) is conjugate acid of thiamine(1+) monophosphate(1−) (CHEBI:37574)
thiamine(1+) monophosphate(2−) (CHEBI:37575) is conjugate base of thiamine(1+) monophosphate(1−) (CHEBI:37574)
IUPAC Name
2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl hydrogen phosphate
Synonym Source
THIAMIN PHOSPHATE PDBeChem
Manual Xrefs Databases
HMDB0002666 HMDB
TPS PDBeChem
View more database links
Registry Numbers Types Sources
1056035 Gmelin Registry Number Gmelin
3917125 Beilstein Registry Number Beilstein
Last Modified
23 October 2015