3-ADP-2-phosphoglycerate

Properties Image MNX_ID MNXM4323 reference chebi:58381 formula C13H15N5O16P3 global charge -5 mol weight 590.204 InChIKey FNEVPPRBJBZTAF-MDSCUQPFSA-I InChI InChI=1S/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)/p-5/t5-,6?,8-,9-,12-/m1/s1 SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OCC(OP(=O)([O-])[O-])C(=O)[O-])[C@@H](O)[C@H]1O MNX internals InChI (mnx) 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 SMILES (mnx) [CH2:1]([C@@H:5]1[C@@H:8]([OH:19])[C@@H:9]([OH:20])[C@H:12]([N:18]2[CH:4]=[N:17][C:7]3=[C:10]([NH2:14])[N:15]=[CH:3][N:16]=[C:11]32)[O:32]1)[O:30][P:36]([OH:26])(=[O:27])[O:34][P:37]([OH:28])(=[O:29])[O:31][CH2:2][CH:6]([C:13](=[O:21])[OH:22])[O:33][P:35]([OH:23])([OH:24])=[O:25]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0