PCIDB

KNApSAcK Metabolite C00000416

Metabolite

KNApSAcK Entry

id C00000416
Name 12S-HEPE / 12S-Hydroxyeicosapentaenoic acid
CAS RN 116180-17-7
Standard InChI InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)

Cluster

Phytochemical cluster No. 68
KCF-S cluster No. 300

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN