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CHEBI:32366 - margarate

Default Structure
ChEBI IDCHEBI:32366
ChEBI Namemargarate
Stars
DefinitionA straight-chain saturated fatty acid anion that is the conjugate base of margaric acid, obtained by deprotonation of the carboxy group.
Last Modified13 September 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC17H33O2
Net Charge-1
Average Mass269.449
Monoisotopic Mass269.24860
SMILESCCCCCCCCCCCCCCCCC(=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)/p-1
InChIKeyKEMQGTRYUADPNZ-UHFFFAOYSA-M
Roles Classification
Biological Role:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
ChEBI Ontology
Outgoing Relation(s)
margarate (CHEBI:32366) has role mammalian metabolite (CHEBI:75768)
margarate (CHEBI:32366) is a fatty acid anion 17:0 (CHEBI:78124)
margarate (CHEBI:32366) is a long-chain fatty acid anion (CHEBI:57560)
margarate (CHEBI:32366) is a straight-chain saturated fatty acid anion (CHEBI:58954)
margarate (CHEBI:32366) is conjugate base of heptadecanoic acid (CHEBI:32365)
Incoming Relation(s)
N-hexadecanoyl-1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine(1−) (CHEBI:138220) has functional parent margarate (CHEBI:32366)
N-oleoyl-1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine(1−) (CHEBI:138222) has functional parent margarate (CHEBI:32366)
heptadecanoic acid (CHEBI:32365) is conjugate acid of margarate (CHEBI:32366)
IUPAC Name 
heptadecanoate
Synonyms  Source
(17:0)ChEBI
CH3‒[CH2]15‒COO−IUPAC
n-heptadecanoateChEBI
n-heptadecoateChEBI
n-heptadecylateChEBI
heptadecanoate anionChEBI
UniProt Name  Source
heptadecanoateUniProt
Manual XrefsDatabases
CPD-7830MetaCyc
Registry NumbersSources
Gmelin:386661Gmelin