Structure Database (LMSD)

Common Name
2-Amino-4-methylpentanoic acid
Systematic Name
2-Amino-4-methylpentanoic acid
Synonyms
LM ID
LMFA01100048
Formula
C6H13NO2
Exact Mass
Calculate m/z
131.094629
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Amino fatty acids [FA0110]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
ROHFNLRQFUQHCH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
SMILES (Click to copy)
C(C(N)CC(C)C)(=O)O

Other Databases

KEGG ID
C16439
HMDB ID
HMDB0062203
CHEBI ID
25017
PubChem CID
857

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 138.30
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 0.73
Molar Refractivity 35.58

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Updated at
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