12-hydroxyheptadecatrienoic acid

Ligand id: 6159

Name: 12-hydroxyheptadecatrienoic acid

Abbreviated name: 12-HHT

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 57.53
Molecular weight 280.2
XLogP 5.03
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
Synonyms
12S-HHTrE
Database Links
CAS Registry No. 54397-84-1 (source: Scifinder)
ChEBI CHEBI:63977
GtoPdb PubChem SID 178102780
PubChem CID 5283141
Search Google for chemical match using the InChIKey KUKJHGXXZWHSBG-WBGSEQOASA-N
Search Google for chemicals with the same backbone KUKJHGXXZWHSBG
Search UniChem for chemical match using the InChIKey KUKJHGXXZWHSBG-WBGSEQOASA-N
Search UniChem for chemicals with the same backbone KUKJHGXXZWHSBG
Wikipedia 12-Hydroxyheptadecatrienoic acid