12-KETE

Chemical Formula:

C₂₀H₂₉O₃

Molecular Weight:

317.447 Daltons

Monoisotopic Mass:

318.2194948293 Daltons

SMILES:

CCCCCC=CCC(=O)C=CC=CCC=CCCCC(=O)[O-]

InChI:

1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/p-1/b9-7-,11-8-,13-10-,17-14+

InChIKey:

GURBRQGDZZKITB-VXBMJZGYSA-M

Synonyms

12-oxo-ETE = (5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate

Databases

MetaCyc: CPD-15851

RefMet: 12-oxo-ETE

PubChem (CID): 71668333

ChEBI: 75231

Reactome: 2142745

Seed: cpd10504

HMDB: HMDB13633

MetaNetX: MNXM33281

KEGG: C14807