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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:84098 -
O
-linoleyl-
L
-carnitine
Main
ChEBI Ontology
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ChEBI Name
O
-linoleyl-
L
-carnitine
ChEBI ID
CHEBI:84098
ChEBI ASCII Name
O-linoleyl-L-carnitine
Definition
An
O
-octadecadienoyl-
L
-carnitine where the acyl group specified is linoleyl.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C25H45NO4
Net Charge
0
Average Mass
423.62910
Monoisotopic Mass
423.33486
InChI
InChI=1S/C25H45NO4/c1-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
20-
25(29)
30-
23(21-
24(27)
28)
22-
26(2,3)
4/h9-
10,12-
13,23H,5-
8,11,14-
22H2,1-
4H3/b10-
9-
,13-
12-
/t23-
/m1/s1
InChIKey
MJLXQSQYKZWZCB-DQFWFXSYSA-N
SMILES
CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
O-octadecadienoyl-L-carnitine
)
(via
O-octadecadienoylcarnitine
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
O
-linoleyl-
L
-carnitine (
CHEBI:84098
)
has functional parent
linoleic acid (
CHEBI:17351
)
O
-linoleyl-
L
-carnitine (
CHEBI:84098
)
has role
human metabolite (
CHEBI:77746
)
O
-linoleyl-
L
-carnitine (
CHEBI:84098
)
has role
human urinary metabolite (
CHEBI:84087
)
O
-linoleyl-
L
-carnitine (
CHEBI:84098
)
is a
O
-octadecadienoyl-
L
-carnitine (
CHEBI:85463
)
IUPAC Name
(3
R
)-3-[(9
Z
,12
Z
)-octadeca-9,12-dienoyloxy]-4-(trimethylammonio)butanoate
Synonyms
Sources
Decadienylcarnitine
HMDB
Octadecadienyl-L-carnitine
HMDB
Manual Xref
Database
HMDB0006469
HMDB
View more database links
Registry Numbers
Types
Sources
36816-10-1
CAS Registry Number
ChemIDplus
4007077
Reaxys Registry Number
Reaxys
Citation
Type
Source
22806411
PubMed citation
Europe PMC
Last Modified
23 October 2015