Structure Database (LMSD)

Common Name
UDP-3-O-(beta-hydroxymyristoyl)-GlcNAc
Systematic Name
UDP-3-(3R-hydroxy-tetradecanoyl)-N-acetyl-αD-glucosamine
Synonyms
LM ID
LMSL01020003
Formula
C31H53N3O19P2
Exact Mass
Calculate m/z
833.274858
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Saccharolipids [SL]
Acylaminosugars [SL01]
Diacylaminosugars [SL0102]

String Representations

InChiKey (Click to copy)
TZSJGZGYQDNRRX-MPLCHSTDSA-N
InChi (Click to copy)
InChI=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(49-21)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 (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]1[C@H](NC(=O)C)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H](O)[C@@H](CO)O1)(=O)O

Other Databases

CHEBI ID
61537
PubChem CID
194791
PDB ID
U20

Calculated Physicochemical Properties

Heavy Atoms 55
Rings 3
Aromatic Rings 1
Rotatable Bonds 24
Van der Waals Molecular Volume 723.35
Topological Polar Surface Area 336.30
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 22
logP 4.70
Molar Refractivity 192.19

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Created at
-
Updated at
18th Nov 2021