(12S)-HPETE
Chemical Formula:
C20H31O4
Molecular Weight:
335.462 Daltons
Monoisotopic Mass:
336.2300595156 Daltons
SMILES:
CCCCCC=CCC(C=CC=CCC=CCCCC(=O)[O-])OO
InChI:
1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/p-1/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
InChIKey:
Synonyms
- (5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoate
Databases
MetaCyc:
5Z8Z10E14Z-12S-12-HYDROPEROXYICOS
RefMet:
12S-HpETE
MetaboLights:
MTBLC57444
HMDB:
HMDB04243
ChemSpider:
20118044
ChEBI:
57444
KEGG:
C05965
Reactome:
2142811
Seed:
cpd03554
MetaNetX:
MNXM2765