3,4-dihydroxybenzoyl-5'-AMP

Properties Image MNX_ID MNXM9955 reference chebi:144942 formula C17H17N5O10P global charge -1 mol weight 482.322 InChIKey YDVDHHNNOYDHLY-XNIJJKJLSA-M InChI InChI=1S/C17H18N5O10P/c18-14-11-15(20-5-19-14)22(6-21-11)16-13(26)12(25)10(31-16)4-30-33(28,29)32-17(27)7-1-2-8(23)9(24)3-7/h1-3,5-6,10,12-13,16,23-26H,4H2,(H,28,29)(H2,18,19,20)/p-1/t10-,12-,13-,16-/m1/s1 SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)C2=CC=C(O)C(O)=C2)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C17H18N5O10P/c18-14-11-15(20-5-19-14)22(6-21-11)16-13(26)12(25)10(31-16)4-30-33(28,29)32-17(27)7-1-2-8(23)9(24)3-7/h1-3,5-6,10,12-13,16,23-26H,4H2,(H,28,29)(H2,18,19,20)/t10-,12-,13-,16-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:8]([OH:23])=[C:9]([OH:24])[CH:3]=[C:7]1[C:17](=[O:27])[O:32][P:33]([OH:28])(=[O:29])[O:30][CH2:4][C@@H:10]1[C@@H:12]([OH:25])[C@@H:13]([OH:26])[C@H:16]([N:22]2[CH:6]=[N:21][C:11]3=[C:14]([NH2:18])[N:19]=[CH:5][N:20]=[C:15]32)[O:31]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 2