Structure Database (LMSD)

Common Name
O-behenoylcarnitine
Systematic Name
3-(docosyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
  • 3-(docosyloxy)-4-(trimethylammonio)butanoate
  • O-docosanoylcarnitine
  • behenoylcarnitine
  • docosanoylcarnitine
LM ID
LMFA07070089
Formula
C29H57NO4
Exact Mass
Calculate m/z
483.428759
Sum Composition
CAR 22:0
Status
Curated
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)
IUMXSSOVGPXXJL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H57NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h27H,5-26H2,1-4H3
SMILES (Click to copy)
C(CCCCCCCCCCCCC)CCCCCCCC(OC(C[N+](C)(C)C)CC([O-])=O)=O

Other Databases

HMDB ID
HMDB0062468
CHEBI ID
73105
PubChem CID
71464577

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 551.14
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 7.14
Molar Refractivity 142.11

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Created at
-
Updated at
25th Apr 2022