General Information of Drug (ID: DMAK1W7)

Drug Name
hepoxilin A3
Synonyms hepoxilin A3; HXA3; 8-hydroxy-11S,12S-epoxy-5Z,14Z,9E-eicosatrienoic acid; GTPL6305; LMFA03090005; (5Z,9E)-8-hydroxy-10-[(3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,9-dienoic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C20H32O4
Canonical SMILES
CCCCCC=CCC1C(O1)C=CC(CC=CCCCC(=O)O)O
InChI
1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19?/m0/s1
InChIKey
SGTUOBURCVMACZ-UIKNIFMXSA-N
Cross-matching ID
PubChem CID
52921899
TTD ID
D09VKI

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6305).