Structure Database (LMSD)

Common Name
diamino-pimelic acid
Systematic Name
2,6-diamino-heptanedioic acid
Synonyms
LM ID
LMFA01170102
Formula
C7H14N2O4
Exact Mass
Calculate m/z
190.095358
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
GMKMEZVLHJARHF-WHFBIAKZSA-N
InChi (Click to copy)
InChI=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
SMILES (Click to copy)
C(=O)(O)[C@@H](N)CCC[C@H](N)C(=O)O

Other Databases

KEGG ID
C00666
HMDB ID
HMDB0001370
CHEBI ID
57609
PubChem CID
439283

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 181.54
Topological Polar Surface Area 126.64
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP -0.45
Molar Refractivity 46.10

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Created at
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Updated at
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