3-(ADP)-2-phosphoglycerate

Molecular Formula: C13H20N5O16P3


InChI: InChI=1/C13H20N5O16P3/c14-10-7-11(16-3-15-10)18(4-17-7)12-9(20)8(19)5(32-12)1-30-36(26,27)34-37(28,29)31-2-6(13(21)22)33-35(23,24)25/h3-6,8-9,12,19-20H,1-2H2,(H,21,22)(H,26,27)(H,28,29)(H2,14,15,16)(H2,23,24,25)/t5-,6?,8-,9-,12-/m1/s1/f/h21,23-24,26,28H,14H2

InChIKey: InChIKey=FNEVPPRBJBZTAF-NGJRGALMDG
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC(C(=O)O)OP(=O)(O)O)O)O

Names:
    C03673
    3-(ADP)-2-phosphoglycerate
    3-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-phosphonooxy-propanoic acid

Registries:
    PubChem CID 440083
    PubChem ID 6449