Terminology Service for NFDI4Health
12(S)-HETrE
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http://purl.obolibrary.org/obo/CHEBI_90995
A HETrE that is (8Z,10E,14Z)-icosatrienoic acid in which the hydroxy group is located at the 12(S)-posiiton.
Term info
Label
12(S)-HETrE
Synonyms
- (8Z,10E,12S,14Z)-12-hydroxyicosa-8,10,14-trienoic acid
Subsets
3_STAR
charge
0
formula
C20H34O3
has obo namespace
chebi_ontology
has related synonym
12S-HETrE, (12S)-hydroxy-(8Z,10E,14Z)-icosatrienoic acid, (12S)-hydroxy-(8Z,10E,14Z)-eicosatrienoic acid
id
CHEBI:90995
inchi
InChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h8,10-11,13-14,17,19,21H,2-7,9,12,15-16,18H2,1H3,(H,22,23)/b11-8-,13-10-,17-14+/t19-/m0/s1
inchikey
YYIXZLMPKIFFGQ-ONNNWOQGSA-N
mass
322.483
monoisotopicmass
322.25079
smiles
C(CCC(O)=O)CCC\C=C/C=C/[C@H](C/C=C\CCCCC)O
Term relations
Subclass of:
- HETrE
- is conjugate acid of some 12(S)-HETrE(1-)
- has role some human xenobiotic metabolite
- has functional parent some all-cis-icosa-8,11,14-trienoic acid
Related from: