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

Details

Stereochemistry ABSOLUTE
Molecular Formula C39H74O5
Molecular Weight 623.0019
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-(Hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl (9Z)-9-octadecenoate, (1S)-

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC

InChI

InChIKey=SAEPUUXWQQNLGN-LVVMQYBKSA-N
InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,37,40H,3-17,19,21-36H2,1-2H3/b20-18-/t37-/m0/s1

HIDE SMILES / InChI

Molecular Formula C39H74O5
Molecular Weight 623.0019
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:49:21 GMT 2025
Edited
by admin
on Wed Apr 02 05:49:21 GMT 2025
Record UNII
VL8TL457DV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Stearoyl-2-oleoyl-sn-glycerol
Preferred Name English
1-(Hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl (9Z)-9-octadecenoate, (1S)-
Systematic Name English
((2S)-2-Octadec-9-enoyloxy-3-oxidanyl-propyl) octadecanoate
Systematic Name English
9-Octadecenoic acid (9Z)-, (1S)-1-(hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl ester
Systematic Name English
(1S)-1-(Hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl (9Z)-9-octadecenoate
Systematic Name English
[(2S)-3-Hydroxy-2-[(Z)-octadec-9-enoyl]oxypropyl]octadecanoate
Systematic Name English
Code System Code Type Description
CAS
53702-48-0
Created by admin on Wed Apr 02 05:49:21 GMT 2025 , Edited by admin on Wed Apr 02 05:49:21 GMT 2025
PRIMARY
PUBCHEM
6443547
Created by admin on Wed Apr 02 05:49:21 GMT 2025 , Edited by admin on Wed Apr 02 05:49:21 GMT 2025
PRIMARY
FDA UNII
VL8TL457DV
Created by admin on Wed Apr 02 05:49:21 GMT 2025 , Edited by admin on Wed Apr 02 05:49:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID301150231
Created by admin on Wed Apr 02 05:49:21 GMT 2025 , Edited by admin on Wed Apr 02 05:49:21 GMT 2025
PRIMARY