Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSL01010002
Common NameUDP-GlcNAc
Systematic NameUDP-N-acetyl-αD-glucosamine
Synonyms-
Exact Mass
607.0816 (neutral)    Calculate m/z:
FormulaC17H27N3O17P2
CategorySaccharolipids [SL]
Main ClassAcylaminosugars [SL01]
Sub ClassMonoacylaminosugars [SL0101]
PubChem CID9547196
KEGG IDC00203
HMDB IDHMDB00304
InChIKeyLFTYTUAZOPRMMI-NRFDBSNNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7?,8-,10?,11-,12?,13-,14+,15-,16-/m1/s1
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SMILES
[C@H]1(O)[C@H](O)C(NC(=O)C)[C@@H](OP(=O)(O)OP(O)(=O)OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@@H](O)C2O)OC1CO
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms39Rings3Aromatic Rings1Rotatable Bonds10
 van der Waals
Molecular Volume		466.21Topological Polar
Surface Area		310.00Hydrogen
Bond Donors		9Hydrogen
Bond Acceptors		18
 logP0.19Molar
Refractivity		125.33