CHEBI:58937 - thiamine(1+) diphosphate(3−)

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ChEBI Name thiamine(1+) diphosphate(3−)
ChEBI ID CHEBI:58937
ChEBI ASCII Name thiamine(1+) diphosphate(3-)
Definition Dianion of thiamine(1+) diphosphate arising from deprotonation of the three OH groups of the diphosphate.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H16N4O7P2S
Net Charge -2
Average Mass 422.29100
Monoisotopic Mass 422.02259
InChI InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p-2
InChIKey AYEKOFBPNLCAJY-UHFFFAOYSA-L
SMILES Cc1ncc(C[n+]2csc(CCOP([O-])(=O)OP([O-])([O-])=O)c2C)c(N)n1
Roles Classification
Biological Role(s): cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing thiamine(1+) diphosphate(3−) (CHEBI:58937) has role cofactor (CHEBI:23357)
thiamine(1+) diphosphate(3−) (CHEBI:58937) is a organophosphate oxoanion (CHEBI:58945)
thiamine(1+) diphosphate(3−) (CHEBI:58937) is conjugate base of thiamine(1+) diphosphate (CHEBI:9532)
Incoming thiamine(1+) diphosphate (CHEBI:9532) is conjugate acid of thiamine(1+) diphosphate(3−) (CHEBI:58937)
Synonyms Sources
thiamine diphosphate UniProt
thiamine diphosphate dianion ChEBI
thiamine diphosphate(2−) ChEBI
Registry Number Type Source
907009 Gmelin Registry Number Gmelin
Last Modified
26 July 2019