thiamin pyrophosphate

Thiamine Pyrophosphate The coenzyme form of vitamin B1 (THIAMINE), present in many animal tissues. It is a required intermediate in the PYRUVATE DEHYDROGENASE COMPLEX and the KETOGLUTARATE DEHYDROGENASE COMPLEX.

[1. the diphosphoric ester of thiamin, a coenzyme of several (de)carboxylases, transketolases, and α-oxoacid dehydrogenases.

Molecular Formula: C₁₂H₁₈N₄O₇P₂S

InChI: InChI=1/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)/f/h17,20H,13H2

InChIKey: InChIKey=AYEKOFBPNLCAJY-RAYBCTOLCV
SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)[O-]

Names:
    EINECS 205-230-7
    Thiamine pyrophosphate
    thiamin pyrophosphate
    Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, hydroxide, inner salt, P,P'-dioxide
    Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, inner salt
    12318-71-7
    136-09-4
    2-(3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-1,3-thiazoniol-5-yl)ethyl dihydrogen diphosphate
    2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-(hydroxy-oxido-phosphoryl)oxy-phosphinic acid
    495-24-9

Registries:
    PubChem CID 5431
    PubChem ID 209395