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CHEBI:31004 - triacontanoate

ChEBI IDCHEBI:31004
ChEBI Nametriacontanoate
Stars
DefinitionA straight-chain saturated fatty acid anion that is the conjugate base of melissic acid, arising from deprotonation of the carboxylic acid group.
Last Modified1 February 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC30H59O2
Net Charge-1
Average Mass451.800
Monoisotopic Mass451.45205
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)/p-1
InChIKeyVHOCUJPBKOZGJD-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
triacontanoate (CHEBI:31004) is a fatty acid anion 30:0 (CHEBI:78131)
triacontanoate (CHEBI:31004) is a straight-chain saturated fatty acid anion (CHEBI:58954)
triacontanoate (CHEBI:31004) is a ultra-long-chain fatty acid anion (CHEBI:143005)
triacontanoate (CHEBI:31004) is conjugate base of triacontanoic acid (CHEBI:31003)
Incoming Relation(s)
triacontanoic acid (CHEBI:31003) is conjugate acid of triacontanoate (CHEBI:31004)
IUPAC Name 
triacontanoate
Synonyms  Source
CH3‒[CH2]28‒COO−IUPAC
n-triacontanoateChEBI
melissateChEBI
TriacontanoatChEBI
triacontoateChEBI
UniProt Name  Source
triacontanoateUniProt
Registry NumbersSources
Gmelin:383247Gmelin