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CE(20:1(11Z))

Properties

Image

Occurences in reactions

MNX_ID

MNXM45911

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

formula

C₄₇H₈₂O₂

charge

mass

678.63148

reference

chebi:88795

InChIKey

OWTYWMJVQZQWFH-JQTKPCACSA-N

InChI

InChI=1S/C47H82O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h14-15,28,37-38,40-44H,7-13,16-27,29-36H2,1-6H3/b15-14-/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1

SMILES

CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C2CC[C@@]2(C)C3CCC2[C@H](C)CCCC(C)C)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:88795 chebi:88795	CE(20:1(11Z)) (2R,5S,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 (11Z)-icos-11-enoate 1-(11-Eicosenoate 1-(11-Eicosenoic acid 1-(11-Eicosenoic acid) 1-(11-Eicosenoyl)-cholesterol 1-Eicosenoyl-cholesterol 20:1 Cholesterol ester 20:1(11Z) Cholesterol ester CE(20:1) CE(20:1/0:0) CE(20:1n9/0:0) CE(20:1w9/0:0) Cholest-5-en-3beta-yl (11Z-eicosenoate Cholest-5-en-3beta-yl (11Z-eicosenoate) Cholest-5-en-3beta-yl (11Z-eicosenoic acid Cholest-5-en-3beta-yl 11Z-eicosenoate Cholest-5-en-3beta-yl 11Z-eicosenoic acid Cholesterol 1-(11-eicosenoate Cholesterol 1-(11-eicosenoate) Cholesterol 1-(11-eicosenoic acid Cholesterol 1-(11-eicosenoic acid) Cholesterol 1-eicosenoate Cholesterol 1-eicosenoic acid Cholesterol Ester(20:1) Cholesterol Ester(20:1/0:0) Cholesterol Ester(20:1n9/0:0) Cholesterol Ester(20:1w9/0:0) Cholesteryl Cholesteryl 1-(11-eicosenoate Cholesteryl 1-(11-eicosenoate) Cholesteryl 1-(11-eicosenoic acid Cholesteryl 1-eicosenoate Cholesteryl 1-eicosenoic acid Cholesteryl eicosenoate Cholesteryl eicosenoic acid
hmdb:HMDB0005193	CE(20:1(11Z)) (2R,5S,15R)-2,15-Dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (11Z)-icos-11-enoic acid (2R,5S,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (11Z)-icos-11-enoate 1-(11-Eicosenoate 1-(11-Eicosenoic acid 1-(11-Eicosenoic acid) 1-(11-Eicosenoyl)-cholesterol 1-Eicosenoyl-cholesterol 20:1 Cholesterol ester 20:1(11Z) Cholesterol ester CE(20:1) CE(20:1/0:0) CE(20:1W9/0:0) CE(20:1n9/0:0) Cholest-5-en-3beta-yl (11Z-eicosenoate Cholest-5-en-3beta-yl (11Z-eicosenoate) Cholest-5-en-3beta-yl (11Z-eicosenoic acid Cholest-5-en-3beta-yl 11Z-eicosenoate Cholest-5-en-3beta-yl 11Z-eicosenoic acid Cholesterol 1-(11-eicosenoate Cholesterol 1-(11-eicosenoate) Cholesterol 1-(11-eicosenoic acid Cholesterol 1-(11-eicosenoic acid) Cholesterol 1-eicosenoate Cholesterol 1-eicosenoic acid Cholesterol ester(20:1) Cholesterol ester(20:1/0:0) Cholesterol ester(20:1W9/0:0) Cholesterol ester(20:1n9/0:0) Cholesteryl Cholesteryl 1-(11-eicosenoate Cholesteryl 1-(11-eicosenoate) Cholesteryl 1-(11-eicosenoic acid Cholesteryl 1-(11-eicosenoic acid) Cholesteryl 1-eicosenoate Cholesteryl 1-eicosenoic acid Cholesteryl eicosenoate Cholesteryl eicosenoic acid
bigg.metabolite:M01458 biggM:M01458	Cholest-5-En-3Beta-Yl (11Z-Eicosenoate)
hmdb:HMDB0005194 hmdb:HMDB0006732 hmdb:HMDB05193 hmdb:HMDB05194 hmdb:HMDB06732 biggM:M_M01458	secondary/obsolete/fantasy identifier