Structure Database (LMSD)
Common Name
Liamocin A1
Systematic Name
Synonyms
3D model of Liamocin A1
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
VVUAHGLHHLVKDR-MGXCTWJYSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
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
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Aureobasidium pullulans
(#5580)
Dothideomycetes
(#147541)
Structural characterization of novel extracellular liamocins (mannitol oils) produced by Aureobasidium pullulans strain NRRL 50380.,
Carbohydr Res, 2013
Carbohydr Res, 2013
Pubmed ID:
23435167
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
51
Rings
0
Aromatic Rings
0
Rotatable Bonds
35
Van der Waals Molecular Volume
755.29
Topological Polar Surface Area
260.97
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
15
logP
4.75
Molar Refractivity
192.09
Admin
Created at
22nd Oct 2019
Updated at
5th Mar 2021