Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050439
Common Name(+)-threo-2-Amino-3,4-dihydroxybutanoic acid
Systematic Name2-amino-3,4-dihydroxybutanoic acid
Synonyms-
Exact Mass
135.0532 (neutral)    Calculate m/z:
FormulaC4H9NO4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
PubChem Compound ID (CID)3914727
METABOLOMICS ID-
KEGG ID-
HMDB IDHMDB29389
YMDB ID-
CHEBI ID-
InChIKeyJBNUARFQOCGDRK-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)
SMILESNC(C(O)CO)C(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
121.28Topological Polar
Surface Area
103.78Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP-1.39Molar
Refractivity
30.22    
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