17S-hydroperoxydocosahexaenoate

Chemical Formula:

C₂₂H₃₁O₄

Molecular Weight:

359.484 Daltons

Monoisotopic Mass:

360.2300595156 Daltons

SMILES:

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

InChI:

1S/C22H32O4/c1-2-3-15-18-21(26-25)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(23)24/h3,5-8,11-16,19,21,25H,2,4,9-10,17-18,20H2,1H3,(H,23,24)/p-1/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m0/s1

InChIKey:

BNHQALRBDJVUQB-YTQNUIGOSA-M

Synonyms

(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosa-4,7,10,13,15,19-hexaenoate

Databases

MetaCyc: CPD66-80

RefMet: 17S-HpDHA

ChEBI: 133795

PubChem (CID): 91819960 52921992

LIPID MAPS: LMFA04000051

MetaNetX: MNXM33738