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Details

Stereochemistry RACEMIC
Molecular Formula C18H30O3
Molecular Weight 294.429
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of 16-HYDROXY-9,12,14-OCTADECATRIENOIC ACID, (9Z,12Z,14E)-

SMILES

CCC(O)\C=C\C=C/C\C=C/CCCCCCCC(O)=O

InChI

InChIKey=ILSZLGCGBGSHFR-CGLYFWTESA-N
InChI=1S/C18H30O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h3,5,9,11,13,15,17,19H,2,4,6-8,10,12,14,16H2,1H3,(H,20,21)/b5-3-,11-9-,15-13+

HIDE SMILES / InChI

Molecular Formula C18H30O3
Molecular Weight 294.429
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 3
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:50:44 GMT 2023
Edited
by admin
on Sat Dec 16 13:50:44 GMT 2023
Record UNII
OI8UM3P94Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16-HYDROXY-9,12,14-OCTADECATRIENOIC ACID, (9Z,12Z,14E)-
Systematic Name English
16-HOTE
Common Name English
9,12,14-OCTADECATRIENOIC ACID, 16-HYDROXY-, (E,Z,Z)-
Systematic Name English
16-HYDROXY-9Z,12Z,14E-OCTADECATRIENOIC ACID
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 32288
Created by admin on Sat Dec 16 13:50:44 GMT 2023 , Edited by admin on Sat Dec 16 13:50:44 GMT 2023
Code System Code Type Description
PUBCHEM
13917179
Created by admin on Sat Dec 16 13:50:44 GMT 2023 , Edited by admin on Sat Dec 16 13:50:44 GMT 2023
PRIMARY
FDA UNII
OI8UM3P94Z
Created by admin on Sat Dec 16 13:50:44 GMT 2023 , Edited by admin on Sat Dec 16 13:50:44 GMT 2023
PRIMARY
CAS
81325-65-7
Created by admin on Sat Dec 16 13:50:44 GMT 2023 , Edited by admin on Sat Dec 16 13:50:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID301214069
Created by admin on Sat Dec 16 13:50:44 GMT 2023 , Edited by admin on Sat Dec 16 13:50:44 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY