Structure database (LMSD)

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LM IDLMSL01020003
Common NameUDP-3-O-(β-hydroxymyristoyl)-GlcNAc
Systematic NameUDP-3-(3R-hydroxy-tetradecanoyl)-N-acetyl-αD-glucosamine
Synonyms-
Exact Mass
833.2749 (neutral)    Calculate m/z:
FormulaC31H53N3O19P2
CategorySaccharolipids [SL]
Main ClassAcylaminosugars [SL01]
Sub ClassDiacylaminosugars [SL0102]
PubChem CID9547197
InChIKeyTZSJGZGYQDNRRX-AEBFHVAISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C31H53N3O19P2/c1-3-4-5-6-7-8-9-10-11-12-19(37)15-23(39)51-28-24(32-18(2
)36)30(50-20(16-35)26(28)41)52-55(46,47)53-54(44,45)48-17-21-25(40)27(42)29(49-2
1)34-14-13-22(38)33-31(34)43/h13-14,19-21,24-30,35,37,40-42H,3-12,15-17H2,1-2H3,
(H,32,36)(H,44,45)(H,46,47)(H,33,38,43)/t19-,20?,21-,24?,25?,26-,27+,28-,29-,30-
/m1/s1
SMILES[C@H]1(O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)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
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms55Rings3Aromatic Rings1Rotatable Bonds24
 van der Waals
Molecular Volume
723.35Topological Polar
Surface Area
336.30Hydrogen
Bond Donors
9Hydrogen
Bond Acceptors
20
 logP4.70Molar
Refractivity
192.19