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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:32366 - margarate
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ChEBI Ontology
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ChEBI Name
margarate
ChEBI ID
CHEBI:32366
Definition
A straight-chain saturated fatty acid anion that is the conjugate base of margaric acid, obtained by deprotonation of the carboxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C17H33O2
Net Charge
-1
Average Mass
269.44272
Monoisotopic Mass
269.24860
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)/p-1
InChIKey
KEMQGTRYUADPNZ-UHFFFAOYSA-M
SMILES
CCCCCCCCCCCCCCCCC([O-])=O
Roles Classification
Biological Role
(s):
mammalian metabolite
Any animal metabolite produced during a metabolic reaction in mammals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
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
Sources
(17:0)
ChEBI
CH
3
‒[CH
2
]
15
‒COO
−
IUPAC
heptadecanoate
UniProt
heptadecanoate anion
ChEBI
margarinate
ChEBI
margaroate
ChEBI
n
-heptadecanoate
ChEBI
n
-heptadecoate
ChEBI
n
-heptadecylate
ChEBI
Manual Xref
Database
CPD-7830
MetaCyc
View more database links
Registry Number
Type
Source
386661
Gmelin Registry Number
Gmelin
Last Modified
13 September 2016