Structure database (LMSD)

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LM IDLMFA00000047
Common NameLiamocin A1
Systematic Name-
Synonyms-
Exact Mass
740.4558 (neutral)    Calculate m/z:
FormulaC36H68O15
CategoryFatty Acyls [FA]
Main ClassOther Fatty Acyls [FA00]
Sub Class-
PubChem CID102203992
InChIKeyVVUAHGLHHLVKDR-MGXCTWJYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C36H68O15/c1-4-7-10-13-24(38)16-25(39)20-33(45)50-29(15-12-9-6-3)18-27(41)21-34(46)51-28(14-11-8-5-2)17-26(40)19-32(44)49-23-31(43)36(48)35(47)30(42)22-37/h24-31,35-43,47-48H,4-23H2,1-3H3/t24?,25?,26?,27?,28?,29?,30-,31-,35-,36-/m1/s1
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SMILES
C(CC(O)CC(OC(CC(O)CC(OC(CC(O)CC(O)CCCCC)=O)CCCCC)=O)CCCCC)(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
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StatusActive
ReferencesStructural characterization of novel extracellular liamocins (mannitol oils) produced by Aureobasidium pullulans strain NRRL 50380
Neil P.J.Price, Pennapa Manitchotpisit, Karl E.Vermillion, Michael J.Bowman, Timothy D.Leathers. Carbohydrate Research (2013), 370, 24-32
https://doi.org/10.1016/j.carres.2013.01.014
Calculated physicochemical properties (?):
 Heavy Atoms51Rings0Aromatic Rings0Rotatable Bonds35
 van der Waals
Molecular Volume
755.29Topological Polar
Surface Area
260.97Hydrogen
Bond Donors
9Hydrogen
Bond Acceptors
15
 logP4.75Molar
Refractivity
192.09