Structure database (LMSD)

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LM IDLMSL01010001
Common Name-
Systematic NameUDP-3-(3R-hydroxy-tetradecanoyl)-αD-glucosamine
Synonyms-
Exact Mass
791.2643 (neutral)    Calculate m/z:
FormulaC29H51N3O18P2
CategorySaccharolipids [SL]
Main ClassAcylaminosugars [SL01]
Sub ClassMonoacylaminosugars [SL0101]
PubChem CID3247031
KEGG IDC11521
InChIKeyZFPNNOXCEDQJQS-YVZQRBIDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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)32-13-1
2-20(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[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
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms52Rings3Aromatic Rings1Rotatable Bonds23
 van der Waals
Molecular Volume
682.60Topological Polar
Surface Area
333.22Hydrogen
Bond Donors
9Hydrogen
Bond Acceptors
19
 logP4.53Molar
Refractivity
182.56