7S-hydroperoxy,17S-hydroxy-docosahexaenoate

Chemical Formula:

C₂₂H₃₁O₅

Molecular Weight:

375.484 Daltons

Monoisotopic Mass:

376.2249741377 Daltons

SMILES:

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

InChI:

1S/C22H32O5/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(27-26)18-13-9-14-19-22(24)25/h3,5-13,16-17,20-21,23,26H,2,4,14-15,18-19H2,1H3,(H,24,25)/p-1/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+/t20-,21+/m0/s1

InChIKey:

CEMNNVWBEJGCOI-XGTWDWJNSA-M

Synonyms

(4Z,7S,8E,10Z,13E,15Z,17S,19Z)7-hydroperoxy-17-hydroxydocosa-4,8,10,13,15,19-hexaenoate

Databases

MetaCyc: CPD66-76

PubChem (CID): 91820192

MetaNetX: MNXM114470