Structure Database (LMSD)

Common Name
Linoelaidyl carnitine
Systematic Name
3-[(9E,12E)-octadeca-9,12-dienoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070078
Formula
Exact Mass
Calculate m/z
423.334859
Sum Composition
Status
Active

Classification

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)
MJLXQSQYKZWZCB-OKLKQMLOSA-N
InChi (Click to copy)
InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9+,13-12+
SMILES (Click to copy)
C(=O)([O-])CC(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)C[N+](C)(C)C

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 476.66
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 5.13
Molar Refractivity 123.45

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Created at
-
Updated at
25th Apr 2022