Structure Database (LMSD)

Common Name
Heptanoylcarnitine
Systematic Name
3-(heptanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070068
Formula
C14H27NO4
Exact Mass
Calculate m/z
273.194009
Sum Composition
CAR 7:0
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

String Representations

InChiKey (Click to copy)
VDPCTFWULDLKHT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H27NO4/c1-5-6-7-8-9-14(18)19-12(10-13(16)17)11-15(2,3)4/h12H,5-11H2,1-4H3
SMILES (Click to copy)
C(C[N+](C)(C)C)(OC(=O)CCCCCC)CC(=O)[O-]

Other Databases

HMDB ID
HMDB0013238
CHEBI ID
74303
PubChem CID
6426896

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 291.64
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 1.29
Molar Refractivity 72.85

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Created at
-
Updated at
25th Apr 2022