Structure Database (LMSD)

Systematic Name
UDP-3-(3R-hydroxy-tetradecanoyl)-αD-glucosamine
Synonyms
LM ID
LMSL01010001
Status
Active
Exact Mass
Calculate m/z
791.264293
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ZFPNNOXCEDQJQS-YVZQRBIDSA-N
InChi (Click to copy)
InChI=1S/C29H51N3O18P2/c1-2-3-4-5-6-7-8-9-10-11-17(34)14-21(36)48-26-22(30)28(47-18(15-33)24(26)38)49-52(43,44)50-51(41,42)45-16-19-23(37)25(39)27(46-19)32-13-12-20(35)31-29(32)40/h12-13,17-19,22-28,33-34,37-39H,2-11,14-16,30H2,1H3,(H,41,42)(H,43,44)(H,31,35,40)/t17-,18?,19-,22?,23?,24-,25+,26-,27-,28-/m1/s1
SMILES (Click to copy)
[C@H]1(O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)C(N)[C@@H](OP(=O)(O)OP(O)(=O)OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@@H](O)C2O)OC1CO

References

Other Databases

KEGG ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 3
Aromatic Rings 1
Rotatable Bonds 23
Van der Waals Molecular Volume 682.60
Topological Polar Surface Area 333.22
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 19
logP 4.53
Molar Refractivity 182.56

Admin

Created at
-
Updated at
-