Cypridina luciferin

Properties Image MNX_ID MNXM3958 reference chebi:58006 formula C22H28N7O global charge 1 mol weight 406.514 InChIKey ZWPWSXGBDMGKKS-ZDUSSCGKSA-O InChI InChI=1S/C22H27N7O/c1-3-13(2)19-21(30)29-12-18(15-11-26-16-8-5-4-7-14(15)16)27-17(20(29)28-19)9-6-10-25-22(23)24/h4-5,7-8,11-13,26-27H,3,6,9-10H2,1-2H3,(H4,23,24,25)/p+1/t13-/m0/s1 SMILES CC[C@H](C)C1=NC2=C(CCCNC(N)=[NH2+])NC(C3=CNC4=CC=CC=C43)=CN2C1=O MNX internals InChI (mnx) InChI=1/C22H27N7O/c1-3-13(2)19-21(30)29-12-18(15-11-26-16-8-5-4-7-14(15)16)27-17(20(29)28-19)9-6-10-25-22(23)24/h4-5,7-8,11-13,26-27H,3,6,9-10H2,1-2H3,(H4,23,24,25)/t13-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:13]([CH3:2])[C:19]1=[N:28][C:20]2=[C:17]([CH2:9][CH2:6][CH2:10][NH:25][C:22](=[NH:23])[NH2:24])[NH:27][C:18]([C:15]3=[CH:11][NH:26][C:16]4=[CH:8][CH:5]=[CH:4][CH:7]=[C:14]34)=[CH:12][N:29]2[C:21]1=[O:30]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0