EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168047 - Margaric acid(d3)

ChEBI IDCHEBI:168047
ChEBI NameMargaric acid(d3)
Stars
Last Modified25 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H31D3O2
Net Charge0
Average Mass273.475
Monoisotopic Mass273.27471
SMILES[2H]C([2H])([2H])CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)/i1D3
InChIKeyKEMQGTRYUADPNZ-FIBGUPNXSA-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)
Margaric acid(d3) (CHEBI:168047) is a deuterated fatty acid (CHEBI:75427)
Margaric acid(d3) (CHEBI:168047) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
17,17,17-trideuterioheptadecanoic acid
Manual XrefsDatabases
24532589ChemSpider
LMFA01010048LIPID MAPS