Structure Database (LMSD)

Common Name
(S)-malyl alpha-D-glucosaminide
Systematic Name
Synonyms
  • GlcN-Mal
  • alpha-D-GlcN-L-Mal
  • malyl-D-glucosamine
LM ID
LMFA13010058
Formula
C10H17NO9
Exact Mass
Calculate m/z
295.090334
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty acyl glycosides [FA13]
Fatty acyl glycosides of mono- and disaccharides [FA1301]

String Representations

InChiKey (Click to copy)
DFSUVSNIIHLGAX-NKQVSKEESA-N
InChi (Click to copy)
InChI=1S/C10H17NO9/c11-6-8(16)7(15)4(2-12)20-10(6)19-3(9(17)18)1-5(13)14/h3-4,6-8,10,12,15-16H,1-2,11H2,(H,13,14)(H,17,18)/t3-,4+,6+,7+,8+,10-/m0/s1
SMILES (Click to copy)
O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H](CC(O)=O)C(O)=O)O[C@@H]1CO)N)O

Other Databases

CHEBI ID
64888
PubChem CID
57339274

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 254.03
Topological Polar Surface Area 181.84
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 9
logP -1.30
Molar Refractivity 64.06

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Created at
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Updated at
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