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.
Supplier Information
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Formula C12H16N4O7P2S
Net Charge -2
Average Mass 422.29100
Monoisotopic Mass 422.021
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
ChEBI Ontology
Outgoing 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
30 October 2010