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

Classification

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

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

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

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]

Other Databases

CHEBI ID
131957
PubChem CID
71772400

Calculated Physicochemical Properties

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

Admin

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