Structure Database (LMSD)

Common Name
7,8-diaminononanoic acid
Systematic Name
7,8-diaminononanoic acid
Synonyms
  • 7,8-DAP
  • 7,8-DAPA
  • 7,8-Diaminononanoate
  • 7,8-diaminopelargonic acid
  • DAP
  • DAPA
LM ID
LMFA01100062
Formula
C9H20N2O2
Exact Mass
Calculate m/z
188.152478
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
KCEGBPIYGIWCDH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H20N2O2/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)
SMILES (Click to copy)
C(CCCCCC(C(C)N)N)(O)=O

Other Databases

KEGG ID
C01037
CHEBI ID
2247
PubChem CID
652

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 201.20
Topological Polar Surface Area 89.34
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 2
logP 1.27
Molar Refractivity 53.37

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Updated at
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