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CHEBI:18262 - dodecanoate

ChEBI IDCHEBI:18262
ChEBI Namedodecanoate
Stars
DefinitionA medium-chain fatty acid anion that is the conjugate base of dodecanoic acid (lauric acid); major species at pH 7.3.
Secondary ChEBI IDsCHEBI:14187, CHEBI:23863
Last Modified8 March 2017
DownloadsMolfile
FormulaC12H23O2
Net Charge-1
Average Mass199.314
Monoisotopic Mass199.17035
SMILESCCCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/p-1
InChIKeyPOULHZVOKOAJMA-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
dodecanoate (CHEBI:18262) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
dodecanoate (CHEBI:18262) has role plant metabolite (CHEBI:76924)
dodecanoate (CHEBI:18262) is a fatty acid anion 12:0 (CHEBI:78119)
dodecanoate (CHEBI:18262) is a medium-chain fatty acid anion (CHEBI:59558)
dodecanoate (CHEBI:18262) is a straight-chain saturated fatty acid anion (CHEBI:58954)
dodecanoate (CHEBI:18262) is a ω-methyl fatty acid anion (CHEBI:76619)
dodecanoate (CHEBI:18262) is a ω-methyl-medium-chain fatty acid anion (CHEBI:194240)
dodecanoate (CHEBI:18262) is conjugate base of dodecanoic acid (CHEBI:30805)
Incoming Relation(s)
N-lauroyl-3-ketodihydrosphingosine (CHEBI:189537) has functional parent dodecanoate (CHEBI:18262)
N-lauroyl-heptadecasphingosine-1-phosphoethanolamine zwitterion (CHEBI:143864) has functional parent dodecanoate (CHEBI:18262)
N6-lauroyl-L-lysine residue (CHEBI:143221) has functional parent dodecanoate (CHEBI:18262)
O-lauroyl-L-serine residue (CHEBI:177292) has functional parent dodecanoate (CHEBI:18262)
11-hydroxylaurate (CHEBI:76628) has functional parent dodecanoate (CHEBI:18262)
2-hydroxydodec-2-enoate (CHEBI:141781) has functional parent dodecanoate (CHEBI:18262)
2-hydroxydodecanoate (CHEBI:141772) has functional parent dodecanoate (CHEBI:18262)
2,3-dihydroxydodecanoate (CHEBI:141780) has functional parent dodecanoate (CHEBI:18262)
3-hydroxylaurate (CHEBI:76616) has functional parent dodecanoate (CHEBI:18262)
3-oxododecanoate (CHEBI:29743) has functional parent dodecanoate (CHEBI:18262)
3,12-dihydroxylaurate (CHEBI:76618) has functional parent dodecanoate (CHEBI:18262)
sodium dodecanoate (CHEBI:131839) has part dodecanoate (CHEBI:18262)
dodecanoic acid (CHEBI:30805) is conjugate acid of dodecanoate (CHEBI:18262)
IUPAC Name 
dodecanoate
Synonyms  Source
1-undecanecarboxylateChEBI
C12 fatty acid anionChEBI
CH3‒[CH2]10‒COO−IUPAC
dodecoateChEBI
dodecylateChEBI
duodecyclateChEBI
UniProt Name  Source
dodecanoateUniProt
Manual XrefsDatabases
C02679KEGG COMPOUND
DODECANOATEMetaCyc
Registry NumbersSources
Gmelin:333430Gmelin
Reaxys:3588839Reaxys