methanophenazine

Properties Image MNX_ID MNXM1933 reference chebi:29118 formula C37H50N2O global charge 0 mol weight 538.82 InChIKey VRHMBACMYZITGD-QAAQOENVSA-N InChI InChI=1S/C37H50N2O/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)25-26-40-33-23-24-36-37(27-33)39-35-22-8-7-21-34(35)38-36/h7-8,13,15,17,19,21-24,27,32H,9-12,14,16,18,20,25-26H2,1-6H3/b29-15+,30-17+,31-19+ SMILES CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)CCOC1=CC2=NC3=CC=CC=C3N=C2C=C1 MNX internals InChI (mnx) InChI=1/C37H50N2O/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)25-26-40-33-23-24-36-37(27-33)39-35-22-8-7-21-34(35)38-36/h7-8,13,15,17,19,21-24,27,32H,9-12,14,16,18,20,25-26H2,1-6H3/b29-15+,30-17+,31-19+/t32? SMILES (mnx) [CH3:1][C:28]([CH3:2])=[CH:13][CH2:9][CH2:14]/[C:29]([CH3:3])=[CH:15]/[CH2:10][CH2:16]/[C:30]([CH3:4])=[CH:17]/[CH2:11][CH2:18]/[C:31]([CH3:5])=[CH:19]/[CH2:12][CH2:20][CH:32]([CH3:6])[CH2:25][CH2:26][O:40][C:33]1=[CH:27][C:37]2=[N:39][C:35]3=[CH:22][CH:8]=[CH:7][CH:21]=[C:34]3[N:38]=[C:36]2[CH:24]=[CH:23]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 3