Structure Database (LMSD)

OH O O OH HO O HO O O O O
Common Name
Exophilin A2
Systematic Name
Synonyms
LM ID
LMFA00000049
Formula
C32H58O11
Exact Mass
Calculate m/z
618.397915
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Other Fatty Acyls [FA00]
Fatty esters [FA07]
Fatty acid estolides [FA0709]

String Representations

InChiKey (Click to copy)
HCNZRMMEIFPGAJ-UHFFFAOYSA-N
InChi (Click to copy)
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)
SMILES (Click to copy)
C(CC(OC(=O)C)CC(OC(CC(O)CC(OC(CC(O)CC(O)CCCCC)=O)CCCCC)=O)CCCCC)(=O)O

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
Pubmed ID: 23435167

Other Databases

PubChem CID
102203994

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 648.29
Topological Polar Surface Area 176.89
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 11
logP 6.71
Molar Refractivity 164.17

Admin

Created at
22nd Oct 2019
Updated at
5th Mar 2021