Structure database (LMSD)

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LM IDLMFA01060172
Common Name-
Systematic Name2S-amino-3-oxo-butanoic acid
SynonymsL-2-Amino-3-oxobutanoic acid
Exact Mass
117.0426 (neutral)    Calculate m/z:
FormulaC4H7NO3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassOxo fatty acids [FA0106]
PubChem Compound ID (CID)440033
METABOLOMICS ID-
KEGG IDC03508
HMDB IDHMDB06454
YMDB ID-
CHEBI ID17844
InChIKeySAUCHDKDCUROAO-VKHMYHEASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1
SMILESCC(=O)[C@@H](N)C(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms8Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
109.85Topological Polar
Surface Area
80.39Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP-0.73Molar
Refractivity
26.80    
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