Structure Database (LMSD)

Common Name
Acetyl-D-carnitine
Systematic Name
(3S)-3-acetoxy-4-(trimethylammonio)butyrate
Synonyms
LM ID
LMFA07070049
Status
Active
Exact Mass
Calculate m/z
203.115759
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

References

Other Databases

CHEBI ID
PubChem CID

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

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022