Structure Database (LMSD)

Common Name
Acetyl-D-carnitine
Systematic Name
(3S)-3-acetoxy-4-(trimethylammonio)butyrate
Synonyms
LM ID
LMFA07070049
Formula
C9H17NO4
Exact Mass
Calculate m/z
203.115759
Sum Composition
CAR 2:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
RDHQFKQIGNGIED-QMMMGPOBSA-N
InChi (Click to copy)
InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m0/s1
SMILES (Click to copy)
O(C(C)=O)[C@@H](CC(=O)[O-])C[N+](C)(C)C

Other Databases

CHEBI ID
86045
PubChem CID
18230

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 205.14
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP -0.66
Molar Refractivity 49.77

Admin

Created at
-
Updated at
25th Apr 2022