Structure Database (LMSD)

Common Name
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid
Systematic Name
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid
Synonyms
  • 2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid
LM ID
LMFA01050473
Formula
C7H13NO5
Exact Mass
Calculate m/z
191.079374
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]
Oxo fatty acids [FA0106]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
IFMHGOADXGYWMO-KVQBGUIXSA-N
InChi (Click to copy)
InChI=1S/C7H13NO5/c1-3(9)6(11)5(10)2-4(8)7(12)13/h4-6,10-11H,2,8H2,1H3,(H,12,13)/t4-,5+,6+/m0/s1
SMILES (Click to copy)
C([C@H](N)C(O)=O)[C@@H](O)[C@H](O)C(=O)C

Other Databases

KEGG ID
C16850
CHEBI ID
58859
PubChem CID
25137912

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 179.33
Topological Polar Surface Area 120.85
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP -1.04
Molar Refractivity 44.46

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Created at
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Updated at
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