luciferyl sulfate

Properties Image MNX_ID MNXM4805 reference chebi:58242 formula C26H20N3O5S global charge -1 mol weight 486.529 InChIKey FWTNBXHOBWPZGV-UHFFFAOYSA-M InChI InChI=1S/C26H21N3O5S/c30-21-13-11-20(12-14-21)24-17-29-25(22(27-24)15-18-7-3-1-4-8-18)28-23(26(29)34-35(31,32)33)16-19-9-5-2-6-10-19/h1-14,17,30H,15-16H2,(H,31,32,33)/p-1 SMILES O=S(=O)([O-])OC1=C(CC2=CC=CC=C2)N=C2C(CC3=CC=CC=C3)=NC(C3=CC=C(O)C=C3)=CN21 MNX internals InChI (mnx) InChI=1/C26H21N3O5S/c30-21-13-11-20(12-14-21)24-17-29-25(22(27-24)15-18-7-3-1-4-8-18)28-23(26(29)34-35(31,32)33)16-19-9-5-2-6-10-19/h1-14,17,30H,15-16H2,(H,31,32,33) SMILES (mnx) [CH:1]1=[CH:3][CH:7]=[C:18]([CH2:15][C:22]2=[N:27][C:24]([C:20]3=[CH:12][CH:14]=[C:21]([OH:30])[CH:13]=[CH:11]3)=[CH:17][N:29]3[C:25]2=[N:28][C:23]([CH2:16][C:19]2=[CH:9][CH:5]=[CH:2][CH:6]=[CH:10]2)=[C:26]3[O:34][S:35]([OH:31])(=[O:32])=[O:33])[CH:8]=[CH:4]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0