CHEBI:18284 - thiamine(1+) triphosphate(1−)

Main ChEBI Ontology Automatic Xrefs
ChEBI Name thiamine(1+) triphosphate(1−)
ChEBI ID CHEBI:18284
ChEBI ASCII Name thiamine(1+) triphosphate(1-)
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:15232, CHEBI:26946
Supplier Information
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Formula C12H19N4O10P3S
Net Charge 0
Average Mass 504.28750
InChI InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)
InChIKey IWLROWZYZPNOFC-UHFFFAOYSA-N
SMILES Cc1ncc(C[n+]2csc(CCOP(O)(=O)OP(O)(=O)OP(O)([O-])=O)c2C)c(N)n1
ChEBI Ontology
Outgoing thiamine(1+) triphosphate(1−) (CHEBI:18284) is a thiamine phosphate (CHEBI:26945)
thiamine(1+) triphosphate(1−) (CHEBI:18284) is conjugate base of thiamine(1+) triphosphate (CHEBI:9534)
Incoming thiamine(1+) triphosphate (CHEBI:9534) is conjugate acid of thiamine(1+) triphosphate(1−) (CHEBI:18284)
IUPAC Name
2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl trihydrogen triphosphate
Synonym Source
TTP ChEBI
Registry Numbers Types Sources
3475-65-8 CAS Registry Number ChemIDplus
3812917 Beilstein Registry Number Beilstein
Last Modified
17 June 2008