(9S)-HPODE

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




Chemical Formula:
C18H31O4
Molecular Weight:
311.44 Daltons
Monoisotopic Mass:
312.2300595156 Daltons
SMILES:
CCCCCC=CC=CC(CCCCCCCC([O-])=O)OO
InChI:
1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b8-6-,14-11+/t17-/m1/s1
InChIKey:
JGUNZIWGNMQSBM-UINYOVNOSA-M

Synonyms
  • 9(S)-hydroperoxy-10(E),12(Z)-octadecadienoic acid
  • (9S)-HPOD
  • 9(S)-hydroperoxy-10(E),12(Z)-octadecadienoate
  • (9S,10E,12Z)-9-hydroperoxy-10,12-octadecadienoate

Databases
MetaCyc:  CPD-8677
RefMet:  9S-HpODE
PubChem (CID):  49852425 9548877
HMDB:  HMDB06940
ChEBI:  60955
LIPID MAPS:  LMFA02000012
KEGG:  C14827
Seed:  cpd10524
MetaNetX:  MNXM1867