3'-O-(4-Benzoyl)benzoyl ATP

Properties Image MNX_ID MNXM45055 reference chebi:34316 formula C24H24N5O15P3 global charge 0 mol weight 715.398 InChIKey AWJJLYZBWRIBCZ-UGTJMOTHSA-N InChI InChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1 SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](OC(=O)C2=CC=C(C(=O)C3=CC=CC=C3)C=C2)[C@H]1O MNX internals InChI (mnx) InChI=1/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:13]([C:18]([C:14]2=[CH:7][CH:9]=[C:15]([C:24](=[O:32])[O:42][C@@H:20]3[C@@H:16]([CH2:10][O:40][P:46]([OH:36])(=[O:37])[O:44][P:47]([OH:38])(=[O:39])[O:43][P:45]([OH:33])([OH:34])=[O:35])[O:41][C@@H:23]([N:29]4[CH:12]=[N:28][C:17]5=[C:21]([NH2:25])[N:26]=[CH:11][N:27]=[C:22]54)[C@@H:19]3[OH:31])[CH:8]=[CH:6]2)=[O:30])[CH:5]=[CH:3]1

Parent-child relations graph

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