(5S)-HPETE

Chemical Formula:

C₂₀H₃₁O₄

Molecular Weight:

335.462 Daltons

Monoisotopic Mass:

336.2300595156 Daltons

SMILES:

CCCCCC=CCC=CCC=CC=CC(OO)CCCC([O-])=O

InChI:

1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1

InChIKey:

JNUUNUQHXIOFDA-JGKLHWIESA-M

Synonyms

(6E,8Z,11Z,14Z)-(5s)-5-hydroperoxycosa-6,8,11,14-tetraenoate

Databases

MetaCyc: 6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6

RefMet: 5S-HpETE

ChEBI: 57450

PubChem (CID): 21158466 5280778

HMDB: HMDB11135

LIPID MAPS: LMFA03060012

KEGG: C05356

Reactome: 266010

Seed: cpd03176

MetaNetX: MNXM808