Structure database (LMSD)

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LM IDLMSL01020001
Common NameLipid X
Systematic Name2,3-bis-(3R-hydroxy-tetradecanoyl)-αD-glucosamine-1-phosphate
Synonyms-
Exact Mass
711.4323 (neutral)    Calculate m/z:
FormulaC34H66NO12P
CategorySaccharolipids [SL]
Main ClassAcylaminosugars [SL01]
Sub ClassDiacylaminosugars [SL0102]
PubChem CID3247032
CHEBI ID16942
InChIKeyHEHQDWUWJVPREQ-HKNSQCSZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H66NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)
28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/
h26-28,31-34,36-38,41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/t26-,27-,28?,31+,32-,
33?,34-/m1/s1
SMILESO1C(CO)[C@@H](O)C([C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@H]1OP(=O)(O)O)OC(=O)C[C@H]
(O)CCCCCCCCCCC
MS Spectra-     
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms48Rings1Aromatic Rings0Rotatable Bonds30
 van der Waals
Molecular Volume
715.43Topological Polar
Surface Area
214.38Hydrogen
Bond Donors
7Hydrogen
Bond Acceptors
12
 logP7.54Molar
Refractivity
185.43