(13S)-HPODE

(13<i>S</i>)-HPODE




Chemical Formula:
C18H31O4
Molecular Weight:
311.44 Daltons
Monoisotopic Mass:
312.2300595156 Daltons
SMILES:
CCCCCC(C=CC=CCCCCCCCC(=O)[O-])OO
InChI:
1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/p-1/b9-7-,15-12+/t17-/m0/s1
InChIKey:
JDSRHVWSAMTSSN-IRQZEAMPSA-M

Synonyms
  • 13(S)-hydroperoxy-9(Z),11(E)-octadecadienoate
  • (9Z,11E)-(13S)-13-hydroperoxyoctadeca-9,11-dienoate

Databases
MetaCyc:  13-HYDROPEROXYOCTADECA-911-DIENOATE
RefMet:  13S-HpODE
ChEBI:  57466
PubChem (CID):  21158461 5280720
HMDB:  HMDB03871
LIPID MAPS:  LMFA01040001
KEGG:  C04717
Seed:  cpd02873
MetaNetX:  MNXM2313