Structure database (LMSD)

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LM IDLMSP01080023
Common NameFumonisin B2 (W)
Systematic Name-
Synonyms-
Exact Mass
705.3936 (neutral)    Calculate m/z:
FormulaC34H59NO14
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID2733489
CHEBI ID38225
InChIKeyUXDPXZQHTDAXOZ-STOIETHLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-
30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h
20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22
-,23+,24+,25+,26-,27-,32+/m0/s1
SMILESC[C@H](N)[C@@H](O)C[C@H](O)CCCCCC[C@H](C)C[C@H](OC(=O)C[C@H](C(O)=O)CC(=O)O)[C@H
](OC(=O)C[C@H](C(O)=O)CC(=O)O)[C@H](C)CCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms49Rings0Aromatic Rings0Rotatable Bonds31
 van der Waals
Molecular Volume
714.98Topological Polar
Surface Area
268.28Hydrogen
Bond Donors
7Hydrogen
Bond Acceptors
14
 logP5.03Molar
Refractivity
178.76