4-amino-3-(all-trans-hexaprenyl)benzoate

Properties Image MNX_ID MNXM147780 reference chebi:142618 formula C37H54NO2 global charge -1 mol weight 544.844 InChIKey ZBVQLNVIBOLJDL-LAAQXVIISA-M InChI InChI=1S/C37H55NO2/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27H,8-12,14,16,18,20,22,24,38H2,1-7H3,(H,39,40)/p-1/b29-15+,30-17+,31-19+,32-21+,33-23+ SMILES CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=CC(C(=O)[O-])=CC=C1N MNX internals InChI (mnx) InChI=1/C37H55NO2/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27H,8-12,14,16,18,20,22,24,38H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+ SMILES (mnx) [CH3:1][C:28]([CH3:2])=[CH:13][CH2:8][CH2:14]/[C:29]([CH3:3])=[CH:15]/[CH2:9][CH2:16]/[C:30]([CH3:4])=[CH:17]/[CH2:10][CH2:18]/[C:31]([CH3:5])=[CH:19]/[CH2:11][CH2:20]/[C:32]([CH3:6])=[CH:21]/[CH2:12][CH2:22]/[C:33]([CH3:7])=[CH:23]/[CH2:24][C:34]1=[C:36]([NH2:38])[CH:26]=[CH:25][C:35]([C:37]([OH:39])=[O:40])=[CH:27]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 1