2-(3-carboxy-1-hydroxypropyl)thiamine diphosphate

InChI: InChI=1/C16H24N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,12,21H,3-6,8H2,1-2H3,(H5-,17,18,19,22,23,24,25,26,27,28)/p+1

InChIKey: InChIKey=ZWUKRGPVMMTMAF-IKLDFBCSAP
SMILES: CC1=NC=C(C[N+]2=C(SC(CCOP(O)(=O)OP(O)(O)=O)=C2C)C(O)CCC(O)=O)C(N)=N1

Names:
    2-(3-carboxy-1-hydroxypropyl)thiamine diphosphate
    3-carboxy-1-hydroxypropylthiamine diphosphate
    3-Carboxy-1-hydroxypropyl-ThPP

Registries:
    PubChem CID 440649
    ChEBI 1463
    Kegg C05381
    PubChem ID 7755