Molecule: thiamine(1+) diphosphate(3-)
Dianion of thiamine(1+) diphosphate arising from deprotonation of the three OH groups of the diphosphate.
Synonyms for thiamine(1+) diphosphate(3-) :
thiamin pyrophosphate
thiamin pyrophosphate(2-)
thiamine diphosphate
thiamine diphosphate dianion
thiamine diphosphate(2-)
thiamine pyrophosphate dianion
thiamine pyrophosphate(2-)
Molecular Formula: C12H16N4O7P2S
Molecular wt: 422.29100 g/mole
Charge: -2
SMILES: Cc1ncc(C[n+]2csc(CCOP([O-])(=O)OP([O-])([O-])=O)c2C)c(N)n1
InChIKey: AYEKOFBPNLCAJY-UHFFFAOYSA-L
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