Structure Database (LMSD)

Common Name
Exophilin A1
Systematic Name
Synonyms
LM ID
LMFA00000048
Formula
C30H56O10
Exact Mass
Calculate m/z
576.38735
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
RZQNQMRSGMXXMH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H56O10/c1-4-7-10-13-22(31)16-23(32)20-29(37)40-27(15-12-9-6-3)18-25(34)21-30(38)39-26(14-11-8-5-2)17-24(33)19-28(35)36/h22-27,31-34H,4-21H2,1-3H3,(H,35,36)
SMILES (Click to copy)
C(CC(O)CC(OC(CC(O)CC(OC(CC(O)CC(O)CCCCC)=O)CCCCC)=O)CCCCC)(=O)O

Other Databases

CHEBI ID
181856
PubChem CID
45782747

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 607.54
Topological Polar Surface Area 170.82
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
logP 6.14
Molar Refractivity 154.62

Admin

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