EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169748 - 15S-HETE-d8

ChEBI IDCHEBI:169748
ChEBI Name15S-HETE-d8
Stars
Last Modified25 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24D8O3
Net Charge0
Average Mass328.522
Monoisotopic Mass328.28536
SMILES[2H]C(/C=C(\[2H])[C@@]([2H])(O)CCCCC)=C(\[2H])C/C([2H])=C(/[2H])C/C([2H])=C(/[2H])CCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1/i4D,5D,8D,9D,10D,11D,17D,19D
InChIKeyJSFATNQSLKRBCI-JCAMWLGVSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
15S-HETE-d8 (CHEBI:169748) is a deuterated fatty acid (CHEBI:75427)
15S-HETE-d8 (CHEBI:169748) is a hydroxy fatty acid (CHEBI:24654)
15S-HETE-d8 (CHEBI:169748) is a polyunsaturated fatty acid (CHEBI:26208)
IUPAC Name 
(5Z,8Z,11Z,13E,15S)-5,6,8,9,11,12,14,15-octadeuterio-15-hydroxyicosa-5,8,11,13-tetraenoic acid
Manual XrefsDatabases
LMFA03060080LIPID MAPS
17220805ChemSpider