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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H32O3
Molecular Weight 296.4449
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-DIMORPHECOLIC ACID, (9S)-

SMILES

CCCCC\C=C/C=C/[C@@H](O)CCCCCCCC(O)=O

InChI

InChIKey=NPDSHTNEKLQQIJ-UINYOVNOSA-N
InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H32O3
Molecular Weight 296.4449
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
42KE04U9BM
Record Status Validated (UNII)
Record Version