Structure database (LMSD)

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LM IDLMFA07070049
Common NameAcetyl-D-carnitine
Systematic Name(3S)-3-acetoxy-4-(trimethylammonio)butyrate
Synonyms-
Exact Mass
203.1158 (neutral)    Calculate m/z:
FormulaC9H17NO4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
AbbrevCAR 2:0
PubChem CID18230
CHEBI ID86045
InChIKeyRDHQFKQIGNGIED-QMMMGPOBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
O(C(C)=O)[C@@H](CC(=O)[O-])C[N+](C)(C)C
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
205.14Topological Polar
Surface Area
66.43Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP-0.66Molar
Refractivity
49.77