Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01100051
Common Name2,3-diamino-propionic acid
Systematic Name2S,3-diamino-propionic acid
Synonyms-
Exact Mass
104.0586 (neutral)    Calculate m/z:
FormulaC3H8N2O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
PubChem Compound ID (CID)97328
METABOLOMICS ID-
KEGG ID-
HMDB IDHMDB02006
YMDB ID-
CHEBI ID-
InChIKeyPECYZEOJVXMISF-REOHCLBHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1
SMILESNC[C@@H](N)C(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms7Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
97.40Topological Polar
Surface Area
89.34Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP-1.07Molar
Refractivity
25.67    
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