Structure Database (LMSD)

Common Name
Heptadecanoyl carnitine
Systematic Name
3-(heptadecanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070067
Formula
C24H47NO4
Exact Mass
Calculate m/z
413.350509
Sum Composition
CAR 17:0
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)
DWSFAVOTORHAAL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)29-22(20-23(26)27)21-25(2,3)4/h22H,5-21H2,1-4H3
SMILES (Click to copy)
O(C(=O)CCCCCCCCCCCCCCCC)C(C[N+](C)(C)C)CC(=O)[O-]

Other Databases

HMDB ID
HMDB0006210
CHEBI ID
131887
PubChem CID
53477803

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 464.64
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 5.19
Molar Refractivity 119.02

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Created at
-
Updated at
25th Apr 2022