CLL

CHOLESTERYL LINOLEATE

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	CHOLESTERYL LINOLEATE
Identifiers	[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z)-octadeca-9,12-dienoate
Formula	C₄₅ H₇₆ O₂
Molecular Weight	649.084
Type	NON-POLYMER
Isomeric SMILES	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
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
InChIKey	NAACPBBQTFFYQB-LJAITQKLSA-N

Chemical Details
Formal Charge	0
Atom Count	123
Chiral Atom Count	8
Bond Count	126
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB02092
Name	Cholesteryl Linoleate
Groups	experimental
Synonyms	CE(18:2) cholesteryl (9Z,12Z-octadecadienoate) (3β)-cholest-5-en-3-ol, (Z,Z)-9,12-octadecadienoate (Z,Z)-(3beta)-Cholest-5-en-3-ol 9,12-octadecadienoate Cholesteryl Linoleate (3β)-cholest-5-en-3-ol, (9Z,12Z)-9,12-octadecadienoate 18:2 Cholesteryl ester cholest-5-en-3β-yl (Z,Z)-octadeca-9,12-dienoate CE(18:2(9Z,12Z))
Categories	Cholestanes Cholestenes Fused-Ring Compounds Lipids Membrane Lipids Steroids Sterols
CAS number	604-33-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Lipase 3	MKLALALSLIASVAAAPTAKLANGDTITGLNAIINEAFLGIPFAEPPVGN...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682