oxidized Cypridina luciferin

Properties Image MNX_ID MNXM4071 reference chebi:58059 formula C21H28N7O global charge 1 mol weight 394.503 InChIKey PSYJEEMZZIZTSR-ZDUSSCGKSA-O InChI InChI=1S/C21H27N7O/c1-3-13(2)20(29)28-19-17(9-6-10-24-21(22)23)27-18(12-26-19)15-11-25-16-8-5-4-7-14(15)16/h4-5,7-8,11-13,25H,3,6,9-10H2,1-2H3,(H4,22,23,24)(H,26,28,29)/p+1/t13-/m0/s1 SMILES CC[C@H](C)C(=O)NC1=C(CCCNC(N)=[NH2+])N=C(C2=CNC3=C2C=CC=C3)C=N1 MNX internals InChI (mnx) InChI=1/C21H27N7O/c1-3-13(2)20(29)28-19-17(9-6-10-24-21(22)23)27-18(12-26-19)15-11-25-16-8-5-4-7-14(15)16/h4-5,7-8,11-13,25H,3,6,9-10H2,1-2H3,(H4,22,23,24)(H,26,28,29)/t13-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:13]([CH3:2])[C:20](=[N:28][C:19]1=[N:26][CH:12]=[C:18]([C:15]2=[CH:11][NH:25][C:16]3=[CH:8][CH:5]=[CH:4][CH:7]=[C:14]23)[N:27]=[C:17]1[CH2:9][CH2:6][CH2:10][NH:24][C:21](=[NH:22])[NH2:23])[OH:29]

Parent-child relations graph

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