Structure Database (LMSD)

Common Name
trans-Hexadec-2-enoyl carnitine
Systematic Name
3-[(2E)-hexadec-2-enoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070109
Formula
Exact Mass
Calculate m/z
397.319209
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)
SOYNLLDADLOGAM-ISLYRVAYSA-N
InChi (Click to copy)
InChI=1S/C23H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h17-18,21H,5-16,19-20H2,1-4H3/b18-17+
SMILES (Click to copy)
O(C(=O)/C=C/CCCCCCCCCCCCC)C(C[N+](C)(C)C)CC(=O)[O-]

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 444.70
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 4.57
Molar Refractivity 114.31

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Created at
-
Updated at
25th Apr 2022