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all-trans-retinyl linolate

PropertiesImage
MNX_IDMNXM40798 Image of MNXM40798
referencelipidmapsM:LMPR01090016
formulaC38H58O2
global charge0
mol weight546.88
InChIKeyWGYRYGOQDJJQIQ-YFVGROTRSA-N
InChIInChI=1S/C38H58O2/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/h8-9,11-12,14-15,22,24-25,28-30H,7,10,13,16-21,23,26-27,31-32H2,1-6H3/b9-8+,12-11+,15-14+,25-22+,29-28+,33-24+,34-30+
SMILESCC/C=C/C/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/C38H58O2/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/h8-9,11-12,14-15,22,24-25,28-30H,7,10,13,16-21,23,26-27,31-32H2,1-6H3/b9-8+,12-11+,15-14+,25-22+,29-28+,33-24+,34-30+ Image of MNXM40798
SMILES (mnx)[CH3:1][CH2:7]/[CH:8]=[CH: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
Similar chemical compounds in external resources
IdentifierDescription

lipidmaps:LMPR01090016
lipidmapsM:LMPR01090016
WGYRYGOQDJJQIQ-YFVGROTRSA-N
all-trans-retinyl linolate
(2E,4E,6E,8E)-Octadeca-9,12,15-enoic acid 3,7-dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)- nona-2, 4,6,8,tetraenyl ester