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cholesteryl (9Z-octadecenoate)

Properties

Image

Occurences in reactions

MNX_ID

MNXM730830

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	13

formula

C₄₅H₇₈O₂

charge

mass

650.60018

reference

chebi:46898

InChIKey

RJECHNNFRHZQKU-RMUVNZEASA-N

InChI

InChI=1S/C45H78O2/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/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

SMILES

CCCCCCCC/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:46898 chebi:46898	cholesteryl (9Z-octadecenoate) (3beta)-cholest-5-en-3-ol, (Z)-9-octadecenoate (3beta)-cholest-5-en-3-yl (9Z)-octadec-9-enoate 18:1 Cholesteryl ester CE(18:1(9Z)) CE(18:1) CHOLESTERYL OLEATE Cholest-5-en-3-beta-yl oleate Cholesteryl cis-9-octadecenoate Cholesteryl oleate cholest-5-en-3-yl (9Z)-9-octadecenoate cholesteryl cis-9-octadecenoate cholesteryl oleate oleoylcholesterol
SLM:000000508 slm:000000508	(9Z-octadecenoyl)-cholesterol CE(18:1(9Z)) Cholesteryl (9Z-octadecenoate) Cholesteryl ester (18:1(9Z))
lipidmaps:LMST01020030 lipidmapsM:LMST01020030	18:1 Cholesterol ester (d5) cholest-5-en-3beta-yl (9Z-octadecenoate) (d5)
lipidmaps:LMST01020003 lipidmapsM:LMST01020003	18:1 Cholesterol ester CE 18:1 CE(18:1) cholest-5-en-3b-yl (9Z-octadecenoate)
bigg.metabolite:HC02023 biggM:HC02023	Cholesterol-ester-ol
sabiork.compound:21894 sabiorkM:21894 kegg.compound:C14641 keggC:C14641	Cholesteryl oleate Cholest-5-en-3-beta-yl oleate Cholesteryl cis-9-octadecenoate
seed.compound:cpd10340 seedM:cpd10340	Cholesteryl oleate Cholest-5-en-3-beta-yl oleate Cholesteryl cis-9-octadecenoate cholesteryl cis-9-octadecenoate cholesteryl oleate cholesteryl oleate-9,10-t2 oleic acid cholesteryl ester oleoylcholesterol
metacyc.compound:CPD-15951 metacycM:CPD-15951	cholesteryl oleate cholesteryl cis-9-octadecenoate cholesteryl oleate-9,10-t2 oleic acid cholesteryl ester oleoylcholesterol
chebi:34634 chebi:39859 biggM:M_HC02023 keggC:M_C14641 seedM:M_cpd10340	secondary/obsolete/fantasy identifier