Structure Database (LMSD)

Common Name
5E-tetradecenoylcarnitine
Systematic Name
O-5E-tetradecenoyl-R-Carnitine
Synonyms
LM ID
LMFA07070119
Formula
C21H39NO4
Exact Mass
Calculate m/z
369.287909
Sum Composition
CAR 14:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acyl carnitines [FA0707]

String Representations

InChiKey (Click to copy)
NNCBVXBBLABOCB-JXOMPUQVSA-N
InChi (Click to copy)
InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h12-13,19H,5-11,14-18H2,1-4H3/b13-12+/t19-/m1/s1
SMILES (Click to copy)
O=C(CCC/C=C/CCCCCCCC)O[C@](CC([O-])=O)(C[N+](C)(C)C)[H]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Leaky beta-oxidation of a trans-fatty acid: incomplete beta-oxidation of elaidic acid is due to the accumulation of 5-trans-tetradecenoyl-CoA and its hydrolysis and conversion to 5-trans-tetradecenoylcarnitine in the matrix of rat mitochondria.,
J Biol Chem, 2004
Pubmed ID: 15466478

Other Databases

CHEBI ID
131957
PubChem CID
71772400

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 410.10
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 3.79
Molar Refractivity 105.08

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

Admin

Created at
13th Nov 2023
Updated at
13th Nov 2023