Structure database (LMSD)

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LM IDLMFA00000049
Common NameExophilin A2
Systematic Name-
Synonyms-
Exact Mass
618.3979 (neutral)    Calculate m/z:
FormulaC32H58O11
CategoryFatty Acyls [FA]
Main ClassOther Fatty Acyls [FA00]
Sub Class-
PubChem CID102203994
InChIKeyHCNZRMMEIFPGAJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C32H58O11/c1-5-8-11-14-24(34)17-25(35)19-31(39)42-27(15-12-9-6-2)18-26(36)20-32(40)43-28(16-13-10-7-3)21-29(22-30(37)38)41-23(4)33/h24-29,34-36H,5-22H2,1-4H3,(H,37,38)
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SMILES
C(CC(OC(=O)C)CC(OC(CC(O)CC(OC(CC(O)CC(O)CCCCC)=O)CCCCC)=O)CCCCC)(=O)O
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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 Atoms43Rings0Aromatic Rings0Rotatable Bonds30
 van der Waals
Molecular Volume
648.29Topological Polar
Surface Area
176.89Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
11
 logP6.71Molar
Refractivity
164.17