all-trans-retinyl linoleate

Properties Image MNX_ID MNXM102479 reference chebi:70762 formula C38H60O2 global charge 0 mol weight 548.896 InChIKey XJKITIOIYQCXQR-SCUNHAKFSA-N InChI InChI=1S/C38H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-37(39)40-32-30-34(3)25-22-24-33(2)28-29-36-35(4)26-23-31-38(36,5)6/h11-12,14-15,22,24-25,28-30H,7-10,13,16-21,23,26-27,31-32H2,1-6H3/b12-11-,15-14-,25-22+,29-28+,33-24+,34-30+ SMILES CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C MNX internals InChI (mnx) InChI=1/C38H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-37(39)40-32-30-34(3)25-22-24-33(2)28-29-36-35(4)26-23-31-38(36,5)6/h11-12,14-15,22,24-25,28-30H,7-10,13,16-21,23,26-27,31-32H2,1-6H3/b12-11-,15-14-,25-22+,29-28+,33-24+,34-30+ SMILES (mnx) [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:27][C:37](=[O:39])[O:40][CH2:32]/[CH:30]=[C:34]([CH3:3])/[CH:25]=[CH:22]/[CH:24]=[C:33]([CH3:2])/[CH:28]=[CH:29]/[C:36]1=[C:35]([CH3:4])[CH2:26][CH2:23][CH2:31][C:38]1([CH3:5])[CH3:6]

Parent-child relations graph

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