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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H36O2
Molecular Weight 320.5093
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of METHYL 5,8,11-EICOSATRIENOATE, (5Z,8Z,11Z)-

SMILES

CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC

InChI

InChIKey=AESHPAQQBZWZMS-NWFXIAEYSA-N
InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11,13-14,16-17H,3-9,12,15,18-20H2,1-2H3/b11-10-,14-13-,17-16-

HIDE SMILES / InChI

Molecular Formula C21H36O2
Molecular Weight 320.5093
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 3
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:22:48 GMT 2025
Edited
by admin
on Tue Apr 01 16:22:48 GMT 2025
Record UNII
8Y3T4RA34E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 5,8,11-EICOSATRIENOATE, (5Z,8Z,11Z)-
Systematic Name English
5,8,11-EICOSATRIENOIC ACID, METHYL ESTER, (5Z,8Z,11Z)-
Preferred Name English
METHYL (Z,Z,Z)-5,8,11-EICOSATRIENOATE
Systematic Name English
5,8,11-EICOSATRIENOIC ACID, METHYL ESTER, (Z,Z,Z)-
Systematic Name English
Code System Code Type Description
CAS
14602-39-2
Created by admin on Tue Apr 01 16:22:48 GMT 2025 , Edited by admin on Tue Apr 01 16:22:48 GMT 2025
PRIMARY
CAS
2463-03-8
Created by admin on Tue Apr 01 16:22:48 GMT 2025 , Edited by admin on Tue Apr 01 16:22:48 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
8Y3T4RA34E
Created by admin on Tue Apr 01 16:22:48 GMT 2025 , Edited by admin on Tue Apr 01 16:22:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID40932750
Created by admin on Tue Apr 01 16:22:48 GMT 2025 , Edited by admin on Tue Apr 01 16:22:48 GMT 2025
PRIMARY
PUBCHEM
10958200
Created by admin on Tue Apr 01 16:22:48 GMT 2025 , Edited by admin on Tue Apr 01 16:22:48 GMT 2025
PRIMARY