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cholesteryl (9Z,12Z)-octadecadienoate

MNXM730828 is deprecated and replaced by MNXM730826

Properties

Image

Occurences in reactions

MNX_ID

MNXM730826

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	10

formula

C₄₅H₇₆O₂

charge

mass

648.58453

reference

chebi:41509

InChIKey

NAACPBBQTFFYQB-LJAITQKLSA-N

InChI

InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:41509 chebi:41509	cholesteryl (9Z,12Z)-octadecadienoate (3beta)-cholest-5-en-3-ol, (9Z,12Z)-9,12-octadecadienoate (3beta)-cholest-5-en-3-ol, (Z,Z)-9,12-octadecadienoate (3beta)-cholest-5-en-3-yl (9Z,12Z)-octadeca-9,12-dienoate (Z,Z)-(3beta)-Cholest-5-en-3-ol 9,12-octadecadienoate 18:2 Cholesteryl ester CE(18:2(9Z,12Z)) CE(18:2) CHOLESTERYL LINOLEATE cholest-5-en-3beta-yl (Z,Z)-octadeca-9,12-dienoate cholesteryl linoleate
SLM:000389780 slm:000389780	(9Z,12Z-octadecadienoyl)-cholesterol CE(18:2(9Z,12Z)) Cholesteryl (9Z,12Z-octadecadienoate) Cholesteryl ester (18:2(9Z,12Z))
lipidmaps:LMST01020008 lipidmapsM:LMST01020008	18:2 Cholesterol ester CE 18:2 CE(18:2) cholest-5-en-3beta-yl (9Z,12Z-octadecadienoate)
bigg.metabolite:HC02024 biggM:HC02024	Cholesterol-ester-lin
sabiork.compound:22685 sabiorkM:22685 seed.compound:cpd11132 seedM:cpd11132 kegg.compound:C15441 keggC:C15441	Cholesteryl linoleate (Z,Z)-(3beta)-Cholest-5-en-3-ol 9,12-octadecadienoate
metacyc.compound:CPD-21815 metacycM:CPD-21815	cholesteryl linoleate (3beta)-cholest-5-en-3-yl (9Z,12Z)-octadeca-9,12-dienoate (Z,Z)-(3beta)-cholest-5-en-3-ol 9,12-octadecadienoate cholesterol palmitate cholesteryl (9Z,12Z)-octadecadienoate cholesteryl hexadecanoate
chebi:84337 biggM:M_HC02024 keggC:M_C15441 seedM:M_cpd11132	secondary/obsolete/fantasy identifier