U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C45H76O2
Molecular Weight 649.0837
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of CHOLESTEROL LINOLEATE

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)[C@H](C)CCCC(C)C

InChI

InChIKey=NAACPBBQTFFYQB-LJAITQKLSA-N
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

HIDE SMILES / InChI

Molecular Formula C45H76O2
Molecular Weight 649.0837
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:04:10 GMT 2023
Edited
by admin
on Sat Dec 16 09:04:10 GMT 2023
Record UNII
75427237HI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLESTEROL LINOLEATE
Common Name English
LINOLEIC ACID, CHOLESTERYL ESTER
Common Name English
NSC-18183
Code English
CHOLEST-5-EN-3.BETA.-YL (Z,Z)-OCTADECA-9,12-DIENOATE
Systematic Name English
CHOLEST-5-EN-3-OL (3.BETA.)-, 3-((9Z,12Z)-9,12-OCTADECADIENOATE)
Systematic Name English
CHOLESTEROL, LINOLEATE
Common Name English
CHOLESTERYL LINOLEATE
Common Name English
Code System Code Type Description
PUBCHEM
5287939
Created by admin on Sat Dec 16 09:04:10 GMT 2023 , Edited by admin on Sat Dec 16 09:04:10 GMT 2023
PRIMARY
FDA UNII
75427237HI
Created by admin on Sat Dec 16 09:04:10 GMT 2023 , Edited by admin on Sat Dec 16 09:04:10 GMT 2023
PRIMARY
NSC
18183
Created by admin on Sat Dec 16 09:04:10 GMT 2023 , Edited by admin on Sat Dec 16 09:04:10 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-065-9
Created by admin on Sat Dec 16 09:04:10 GMT 2023 , Edited by admin on Sat Dec 16 09:04:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID00889357
Created by admin on Sat Dec 16 09:04:10 GMT 2023 , Edited by admin on Sat Dec 16 09:04:10 GMT 2023
PRIMARY
CAS
604-33-1
Created by admin on Sat Dec 16 09:04:10 GMT 2023 , Edited by admin on Sat Dec 16 09:04:10 GMT 2023
PRIMARY
DRUG BANK
DB02092
Created by admin on Sat Dec 16 09:04:10 GMT 2023 , Edited by admin on Sat Dec 16 09:04:10 GMT 2023
PRIMARY
CHEBI
41509
Created by admin on Sat Dec 16 09:04:10 GMT 2023 , Edited by admin on Sat Dec 16 09:04:10 GMT 2023
PRIMARY