Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170102
Common Namediamino-pimelic acid
Systematic Name2,6-diamino-heptanedioic acid
Synonyms-
Exact Mass
190.0954 (neutral)    Calculate m/z:
FormulaC7H14N2O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
PubChem Compound ID (CID)439283
METABOLOMICS ID-
KEGG ID-
HMDB IDHMDB01370
YMDB ID-
CHEBI ID-
InChIKeyGMKMEZVLHJARHF-WHFBIAKZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12
,13)/t4-,5-/m0/s1
SMILESN[C@@H](CCC[C@H](N)C(O)=O)C(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
181.54Topological Polar
Surface Area
126.64Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP-0.45Molar
Refractivity
46.10    
logo LIPID MAPS is funded by a Wellcome Trust.