Structure Database (LMSD)

Common Name
3-O-alpha-L-rhamnopyranosyl-3-hydroxyoctanoyl-3-hydroxydecanoic acid
Systematic Name
3-O-α-L-rhamnopyranosyl-3-hydroxyoctanoyl-3-hydroxydecanoic acid
Synonyms
LM ID
LMFA13030010
Formula
C24H44O9
Exact Mass
Calculate m/z
476.298535
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty acyl glycosides [FA13]
Rhamnolipids [FA1303]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pseudomonas gessardii (#78544)
Gammaproteobacteria (#1236)
Characterization of a New Mixture of Mono-Rhamnolipids Produced by Pseudomonas gessardii Isolated from Edmonson Point (Antarctica).,
Mar Drugs, 2020
Pubmed ID: 32443698

String Representations

InChiKey (Click to copy)
BUOVURSHNWNFHV-ADJCYOJGSA-N
InChi (Click to copy)
InChI=1S/C24H44O9/c1-4-6-8-9-11-13-17(14-19(25)26)32-20(27)15-18(12-10-7-5-2)33-24-23(30)22(29)21(28)16(3)31-24/h16-18,21-24,28-30H,4-15H2,1-3H3,(H,25,26)/t16-,17?,18?,21-,22+,23+,24-/m0/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)C(CCCCC)CC(=O)OC(CCCCCCC)CC(=O)O

Other Databases

PubChem CID
101354481

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 1
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 485.23
Topological Polar Surface Area 144.82
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 4.92
Molar Refractivity 125.08

Admin

Created at
29th May 2020
Updated at
29th May 2020