(12S)-HPETE

Chemical Formula:

C₂₀H₃₁O₄

Molecular Weight:

335.462 Daltons

Monoisotopic Mass:

336.2300595156 Daltons

SMILES:

CCCCCC=CCC(C=CC=CCC=CCCCC(=O)[O-])OO

InChI:

1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/p-1/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1

InChIKey:

ZIOZYRSDNLNNNJ-LQWMCKPYSA-M

Synonyms

(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoate

Databases

MetaCyc: 5Z8Z10E14Z-12S-12-HYDROPEROXYICOS

RefMet: 12S-HpETE

MetaboLights: MTBLC57444

HMDB: HMDB04243

ChemSpider: 20118044

ChEBI: 57444

PubChem (CID): 21158474 5280892

KEGG: C05965

Reactome: 2142811

Seed: cpd03554

MetaNetX: MNXM2765