4S-hydroperoxy,17S-hydroxy-docosahexaenoate

Chemical Formula:

C₂₂H₃₁O₅

Molecular Weight:

375.484 Daltons

Monoisotopic Mass:

376.2249741377 Daltons

SMILES:

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

InChI:

1S/C22H32O5/c1-2-3-12-15-20(23)16-13-10-8-6-4-5-7-9-11-14-17-21(27-26)18-19-22(24)25/h3-5,8-14,16-17,20-21,23,26H,2,6-7,15,18-19H2,1H3,(H,24,25)/p-1/b5-4-,10-8-,11-9-,12-3-,16-13+,17-14+/t20-,21+/m0/s1

InChIKey:

ZKUDWLWHTKEJGJ-OSKNXYPTSA-M

Synonyms

(4S,5E,7Z,10Z,13Z,15E,17S,19Z)-4-hydroperoxy-17-hydroxydocosa-5,7,10,13,15,19-hexaenoate

Databases

MetaCyc: CPD66-77

PubChem (CID): 91820126

MetaNetX: MNXM37781