Structure Database (LMSD)

Common Name
O-palmitoleoylcarnitine
Systematic Name
3-[(9Z)-hexadec-9-enoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
  • (9Z)-hexadec-9-enoylcarnitine
  • 3-[(9Z)-hexadec-9-enoyloxy]-4-(trimethylammonio)butanoate
  • cis-9-hexadecenoylcarnitine
LM ID
LMFA07070097
Formula
C23H43NO4
Exact Mass
Calculate m/z
397.319209
Sum Composition
CAR 16:1
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

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)
JFAGPSOZZSTLRF-KHPPLWFESA-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/h10-11,21H,5-9,12-20H2,1-4H3/b11-10-
SMILES (Click to copy)
O(C(CCCCCCC/C=C\CCCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C

Other Databases

CHEBI ID
73066
PubChem CID
71464547

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