17S-hydroxydocosahexaenoate

Chemical Formula:

C₂₂H₃₁O₃

Molecular Weight:

343.485 Daltons

Monoisotopic Mass:

344.2351448935 Daltons

SMILES:

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

InChI:

1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/p-1/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m0/s1

InChIKey:

SWTYBBUBEPPYCX-YTQNUIGOSA-M

Synonyms

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

Databases

MetaCyc: CPD-17450

RefMet: 17S-HDHA

PubChem (CID): 91819844 11046191

MetaNetX: MNXM33737