Margaric acid(d3) (CHEBI:168047)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Margaric acid(d3)

ChEBI ID	CHEBI:168047

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H31D3O2

Net Charge

Average Mass

273.475

Monoisotopic Mass

273.27471

InChI

InChI=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

InChIKey

KEMQGTRYUADPNZ-FIBGUPNXSA-N

SMILES

OC(=O)CCCCCCCCCCCCCCCC([2H])([2H])[2H]

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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

Last Modified

25 January 2023