Structure Database (LMSD)

Common Name
N-(6-aminohexanoyl)-6-aminohexanoic acid
Systematic Name
6-(6-aminohexanamido)hexanoic acid
Synonyms
LM ID
LMFA00000009
Formula
C12H24N2O3
Exact Mass
Calculate m/z
244.178693
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Other Fatty Acyls [FA00]
Fatty Acids and Conjugates [FA01]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
IWENLYKHSZCPRD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
SMILES (Click to copy)
NCCCCCC(=O)NCCCCCC(=O)O

Other Databases

KEGG ID
C01255
CHEBI ID
49255
PubChem CID
895

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 259.25
Topological Polar Surface Area 92.42
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 1.84
Molar Refractivity 67.62

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Created at
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Updated at
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