oxidized Watasenia luciferin

Properties Image MNX_ID MNXM3682 reference chebi:57935 formula C25H19N3O9S2 global charge -2 mol weight 569.573 InChIKey OIGFBCOUXJVZJQ-UHFFFAOYSA-L InChI InChI=1S/C25H21N3O9S2/c29-24(15-18-6-10-20(11-7-18)36-38(30,31)32)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(13-9-19)37-39(33,34)35/h1-13,16H,14-15H2,(H,26,28,29)(H,30,31,32)(H,33,34,35)/p-2 SMILES O=C(CC1=CC=C(OS(=O)(=O)[O-])C=C1)NC1=NC=C(C2=CC=C(OS(=O)(=O)[O-])C=C2)N=C1CC1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C25H21N3O9S2/c29-24(15-18-6-10-20(11-7-18)36-38(30,31)32)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(13-9-19)37-39(33,34)35/h1-13,16H,14-15H2,(H,26,28,29)(H,30,31,32)(H,33,34,35) SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:17]([CH2:14][C:22]2=[N:27][C:23]([C:19]3=[CH:9][CH:13]=[C:21]([O:37][S:39]([OH:33])(=[O:34])=[O:35])[CH:12]=[CH:8]3)=[CH:16][N:26]=[C:25]2[N:28]=[C:24]([CH2:15][C:18]2=[CH:7][CH:11]=[C:20]([O:36][S:38]([OH:30])(=[O:31])=[O:32])[CH:10]=[CH:6]2)[OH:29])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0