Structure database (LMSD)

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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 CID445675
KEGG IDC00043
HMDB IDHMDB00304
CHEBI ID16264
InChIKeyLFTYTUAZOPRMMI-CFRASDGPSA-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
O(P(O)(=O)OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2C(=O)NC(=O)C=C2)O1)P(O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(C)=O)O)O)CO)(=O)O
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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
20
 logP0.19Molar
Refractivity
125.33