9(S)-HPOTE

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




Chemical Formula:
C18H29O4
Molecular Weight:
309.425 Daltons
Monoisotopic Mass:
310.2144094514 Daltons
SMILES:
CCC=CCC=CC=CC(CCCCCCCC([O-])=O)OO
InChI:
1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b4-3-,8-6-,14-11+/t17-/m1/s1
InChIKey:
RWKJTIHNYSIIHW-MEBVTJQTSA-M

Synonyms
  • 9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoic acid
  • 9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoate

Databases
MetaCyc:  CPD-8678
RefMet:  9S-HpOTrE
ChEBI:  60962
PubChem (CID):  49852426 6450029
KEGG:  C16321
Seed:  cpd15037
MetaNetX:  MNXM2302