Watasenia luciferin

Properties Image MNX_ID MNXM4131 reference chebi:58229 formula C26H19N3O9S2 global charge -2 mol weight 581.584 InChIKey PTGHKNQEZNRQKY-UHFFFAOYSA-L InChI InChI=1S/C26H21N3O9S2/c30-26-23(15-18-6-10-20(11-7-18)37-39(31,32)33)28-25-22(14-17-4-2-1-3-5-17)27-24(16-29(25)26)19-8-12-21(13-9-19)38-40(34,35)36/h1-13,16,27H,14-15H2,(H,31,32,33)(H,34,35,36)/p-2 SMILES O=C1C(CC2=CC=C(OS(=O)(=O)[O-])C=C2)=NC2=C(CC3=CC=CC=C3)NC(C3=CC=C(OS(=O)(=O)[O-])C=C3)=CN12 MNX internals InChI (mnx) InChI=1/C26H21N3O9S2/c30-26-23(15-18-6-10-20(11-7-18)37-39(31,32)33)28-25-22(14-17-4-2-1-3-5-17)27-24(16-29(25)26)19-8-12-21(13-9-19)38-40(34,35)36/h1-13,16,27H,14-15H2,(H,31,32,33)(H,34,35,36) SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:17]([CH2:14][C:22]2=[C:25]3[N:28]=[C:23]([CH2:15][C:18]4=[CH:7][CH:11]=[C:20]([O:37][S:39]([OH:31])(=[O:32])=[O:33])[CH:10]=[CH:6]4)[C:26](=[O:30])[N:29]3[CH:16]=[C:24]([C:19]3=[CH:9][CH:13]=[C:21]([O:38][S:40]([OH:34])(=[O:35])=[O:36])[CH:12]=[CH:8]3)[NH:27]2)[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0