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CHEBI:229583 - palmitic acid-d31

ChEBI IDCHEBI:229583
ChEBI Namepalmitic acid-d31
Stars
ASCII Namepalmitic acid-d31
DefinitionA C16 straight-chain saturated fatty acid where the aliphatic hydrogens have been replaced by deuterium atoms.
Last Modified5 March 2024
Submittermwilliams
DownloadsMolfile
FormulaC16HD31O2
Net Charge0
Average Mass287.619
Monoisotopic Mass287.43481
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
InChIKeyIPCSVZSSVZVIGE-SAQPIRCFSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
palmitic acid-d31 (CHEBI:229583) has functional parent hexadecanoic acid (CHEBI:15756)
palmitic acid-d31 (CHEBI:229583) is a deuterated fatty acid (CHEBI:75427)
palmitic acid-d31 (CHEBI:229583) is a long-chain fatty acid (CHEBI:15904)
palmitic acid-d31 (CHEBI:229583) is a straight-chain saturated fatty acid (CHEBI:39418)
IUPAC Name 
(2H31)hexadecanoic acid
Synonyms  Source
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoic acidChEBI
c16:0-d31ChEBI
cetylic acid-d31ChEBI
hexadecanoic-2,2',3,3',4,4',5,5',6,6',7,7',8,8',9,9',10,10',11,11',12,12',13,13',14,14',15,15',16,16,16-d31 acidChEBI
hexadecanoic acid-d31ChEBI
hexadecanoic-d31 acidChEBI
Registry NumbersSources
CAS:39756-30-4ChEBI
Citations