3-Carboxy-1-hydroxypropyl-ThPP

Molecular Formula: C16H25N4O10P2S+


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/fC16H25N4O10P2S/h22,24-25,27H,17H2/q+1

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

Names:
    C05381
    3-Carboxy-1-hydroxypropyl-ThPP
    4-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-[2-(hydroxy-phosphonooxy-phosphoryl)oxyethyl]-4-methyl-1,3-thiazol-2-yl]-4-hydroxy-butanoic acid

Registries:
    PubChem CID 440649
    PubChem ID 7755