Structure Database (LMSD)

Common Name
UDP-GlcNAc
Systematic Name
UDP-N-acetyl-αD-glucosamine
Synonyms
LM ID
LMSL01010002
Status
Active
Exact Mass
Calculate m/z
607.081578
Formula
C17H27N3O17P2
Show lipids differing only in stereochemistry/bond geometry
View MoNA MS spectra
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Saccharolipids [SL]
Acylaminosugars [SL01]
Monoacylaminosugars [SL0101]

String Representations

InChiKey (Click to copy)
LFTYTUAZOPRMMI-CFRASDGPSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
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

References

Other Databases

KEGG ID
C00043
HMDB ID
HMDB00304
CHEBI ID
16264
PubChem CID
445675

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 3
Aromatic Rings 1
Rotatable Bonds 10
Van der Waals Molecular Volume 466.21
Topological Polar Surface Area 310.00
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 20
logP 0.19
Molar Refractivity 125.33

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

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Created at
-
Updated at
9th Dec 2021