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9-(9Z,12Z-octadecadienoyloxy)-octadecanoate

PropertiesImage
MNX_IDMNXM1378631 Image of MNXM1378631
referencechebi:194142
formulaC36H65O4
global charge-1
mol weight561.912
InChIKeyLRKBHXWTBBPDIN-HDXUUTQWSA-M
InChIInChI=1S/C36H66O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-25-29-33-36(39)40-34(30-26-22-19-10-8-6-4-2)31-27-23-21-24-28-32-35(37)38/h11-12,14-15,34H,3-10,13,16-33H2,1-2H3,(H,37,38)/p-1/b12-11-,15-14-
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C36H66O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-25-29-33-36(39)40-34(30-26-22-19-10-8-6-4-2)31-27-23-21-24-28-32-35(37)38/h11-12,14-15,34H,3-10,13,16-33H2,1-2H3,(H,37,38)/b12-11-,15-14-/t34? Image of MNXM1378631
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:20][CH2:25][CH2:29][CH2:33][C:36](=[O:39])[O:40][CH:34]([CH2:30][CH2:26][CH2:22][CH2:19][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[CH2:31][CH2:27][CH2:23][CH2:21][CH2:24][CH2:28][CH2:32][C:35](=[O:37])[OH:38]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:194142
chebi:194142
LRKBHXWTBBPDIN-HDXUUTQWSA-M
9-(9Z,12Z-octadecadienoyloxy)-octadecanoate
9-[(9Z),(12Z)-octadecadienoyloxy]-octadecanoate