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

Details

Stereochemistry RACEMIC
Molecular Formula C55H100O6
Molecular Weight 857.3789
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of 1-PALMITOYL-2-OLEOYL-3-LINOLEIN

SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC

InChI

InChIKey=KGLAHZTWGPHKFF-FBSASISJSA-N
InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,52H,4-15,17-18,20-24,29-51H2,1-3H3/b19-16-,27-25-,28-26-

HIDE SMILES / InChI

Approval Year

Name Type Language
1-PALMITOYL-2-OLEOYL-3-LINOLEIN
Common Name English
1-PALMITOYL-2-OLEOYL-3-LINOLEOYL-RAC-GLYCEROL
Systematic Name English
OLEIN, 1-LINOLEO-3-PALMITO-2-
Systematic Name English
9,12-OCTADECADIENOIC ACID (9Z,12Z)-, 3-((1-OXOHEXADECYL)OXY)-2-(((9Z)-1-OXO-9-OCTADECENYL)OXY)PROPYL ESTER
Systematic Name English
PALMITIN, 3-LINOLEO-2-OLEO-1-
Systematic Name English
LINOLEIN, 2-OLEO-3-PALMITO-1-
Systematic Name English
9,12-OCTADECADIENOIC ACID (Z,Z)-, 3-((1-OXOHEXADECYL)OXY)-2-((1-OXO-9-OCTADECENYL)OXY)PROPYL ESTER, (Z)-
Systematic Name English
9,12-OCTADECADIENOIC ACID (9Z,12Z)-, 3-((1-OXOHEXADECYL)OXY)-2-(((9Z)-1-OXO-9-OCTADECEN-1-YL)OXY)PROPYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
9544086
Created by admin on Sat Dec 16 11:34:04 GMT 2023 , Edited by admin on Sat Dec 16 11:34:04 GMT 2023
PRIMARY
CAS
2680-59-3
Created by admin on Sat Dec 16 11:34:04 GMT 2023 , Edited by admin on Sat Dec 16 11:34:04 GMT 2023
PRIMARY
FDA UNII
S6K38J8R5G
Created by admin on Sat Dec 16 11:34:04 GMT 2023 , Edited by admin on Sat Dec 16 11:34:04 GMT 2023
PRIMARY