Structure Database (LMSD)

Common Name
pentadecanoylcarnitine
Systematic Name
O-pentadecanoyl-R-carnitine
Synonyms
LM ID
LMFA07070136
Formula
C22H43NO4
Exact Mass
Calculate m/z
385.319209
Sum Composition
CAR 15:0
Status
Curated
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
Homo sapiens (#9606)
Mammalia (#40674)
Pentadecanoylcarnitine is a newly discovered endocannabinoid with pleiotropic activities relevant to supporting physical and mental health.,
Sci Rep, 2022
Pubmed ID: 35999445

String Representations

InChiKey (Click to copy)
MDDWQHVKSHTZTD-HXUWFJFHSA-N
InChi (Click to copy)
InChI=1S/C22H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)27-20(18-21(24)25)19-23(2,3)4/h20H,5-19H2,1-4H3/t20-/m1/s1
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCC)O[C@](CC([O-])=O)(C[N+](C)(C)C)[H]

Other Databases

CHEBI ID
165597
PubChem CID
145720488

Calculated Physicochemical Properties

Heavy Atoms 27
Rings
Aromatic Rings
Rotatable Bonds 19
Van der Waals Molecular Volume 430.04
Topological Polar Surface Area 66.43
Hydrogen Bond Donors
Hydrogen Bond Acceptors 5
logP 4.41
Molar Refractivity 109.79

Admin

Created at
20th Dec 2024
Updated at
20th Dec 2024