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cholesteryl octadecanoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM736463

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	3

formula

C₄₅H₈₀O₂

charge

mass

652.61583

reference

chebi:82750

InChIKey

XHRPOTDGOASDJS-XNTGVSEISA-N

InChI

InChI=1S/C45H80O2/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/h26,35-36,38-42H,7-25,27-34H2,1-6H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

SMILES

CCCCCCCCCCCCCCCCCC(=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:82750 chebi:82750	cholesteryl octadecanoate (3beta)-cholest-5-en-3-yl octadecanoate 18:0 Cholesteryl ester 3beta-octadecanoyloxycholest-5-ene CE(18:0) Cholest-5-en-3-beta-yl octadecanoate Cholest-5-en-3-beta-yl stearate Cholesterol stearate Cholesteryl octadecanoate Cholestryl stearate cholest-5-en-3beta-yl octadecanoate cholest-5-en-3beta-yl stearate cholesterol stearate cholesteryl stearate
lipidmaps:LMST01020007 lipidmapsM:LMST01020007	18:0 Cholesterol ester CE 18:0 CE(18:0) cholest-5-en-3beta-yl octadecanoate
bigg.metabolite:HC02022 biggM:HC02022	Cholest-5-En-3Beta-Yl Octadecanoate
sabiork.compound:27190 sabiorkM:27190	Cholesteryl stearate
hmdb:HMDB0062461	cholest-5-en-3beta-yl octadecanoate (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl octadecanoate 18:0 Cholesteryl ester 3b-Octadecanoyloxycholest-5-ene 3beta-Octadecanoyloxycholest-5-ene 3beta-octadecanoyloxycholest-5-ene CE(18:0) Cholest-5-en-3-b-yl octadecanoate Cholest-5-en-3-b-yl octadecanoic acid Cholest-5-en-3-b-yl stearate Cholest-5-en-3-b-yl stearic acid Cholest-5-en-3-beta-yl octadecanoate Cholest-5-en-3-beta-yl octadecanoic acid Cholest-5-en-3-beta-yl stearate Cholest-5-en-3-beta-yl stearic acid Cholest-5-en-3b-yl octadecanoate Cholest-5-en-3b-yl octadecanoic acid Cholest-5-en-3b-yl stearate Cholest-5-en-3b-yl stearic acid Cholest-5-en-3beta-yl octadecanoate Cholest-5-en-3beta-yl octadecanoic acid Cholest-5-en-3beta-yl stearate Cholest-5-en-3beta-yl stearic acid Cholesterol stearate Cholesterol stearic acid Cholesteryl octadecanoate Cholesteryl octadecanoic acid Cholesteryl stearic acid Cholestryl stearate Cholestryl stearic acid
metacyc.compound:CPD-21822 metacycM:CPD-21822	cholesteryl stearate (3beta)-cholest-5-en-3-yl octadecanoate 18:0 cholesteryl ester CE(18:0) cholesterol stearate cholesteryl octadecanoate
SLM:000500276 slm:000500276	octadecanoyl-cholesterol CE(18:0) Cholesteryl ester (18:0) Cholesteryl octadecanoate
hmdb:HMDB62461 biggM:M_HC02022	secondary/obsolete/fantasy identifier