13(S)-HPOTE

Chemical Formula:

C₁₈H₂₉O₄

Molecular Weight:

309.425 Daltons

Monoisotopic Mass:

310.2144094514 Daltons

SMILES:

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

InChI:

1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/p-1/b9-7-,11-3-,15-12+/t17-/m0/s1

InChIKey:

UYQGVDXDXBAABN-FQSPHKRJSA-M

Synonyms

13(S)-hydroperoxylinolenic acid
hydroperoxylinolenic acid
13S-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoic acid
13(S)-hydroperoxy-(9Z,11E,15Z)-octadecatrienoate
13(S)-hydroperoxylinolenate
(9Z,11E,15Z)-(13S)-hydroperoxyoctadeca-9,11,15-trienoate

Databases

MetaCyc: CPD-725

RefMet: 13S-HpOTrE

PubChem (CID): 45266757 5497123

ChEBI: 58757

KEGG: C04785