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

Details

Stereochemistry ACHIRAL
Molecular Formula C43H80O2
Molecular Weight 629.0941
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of PENTACOSYL LINOLENATE

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC

InChI

InChIKey=GUZXMPOLDUGOAX-SKPPXUISSA-N
InChI=1S/C43H80O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-45-43(44)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,27H,3-5,7,9-11,13,15-17,19-26,28-42H2,1-2H3/b8-6-,14-12-,27-18-

HIDE SMILES / InChI

Molecular Formula C43H80O2
Molecular Weight 629.0941
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 3
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
EHN4V0HV0T
Record Status Validated (UNII)
Record Version