Structure Database (LMSD)

Common Name
3-O-(alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid
Systematic Name
3-O-(α-L-rhamnopyranosyl-(1-2)-α-L-rhamnopyranosyl)-3-hydroxydecanoic acid
Synonyms
LM ID
LMFA13030006
Formula
C22H40O11
Exact Mass
Calculate m/z
480.257065
Status
Curated
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 aeruginosa (#287)
Gammaproteobacteria (#1236)
Astonishing diversity of natural surfactants: 1. Glycosides of fatty acids and alcohols.,
Lipids, 2004
Pubmed ID: 15691016

String Representations

InChiKey (Click to copy)
WIDBTDJGTJINRP-YEDFLJHBSA-N
InChi (Click to copy)
InChI=1S/C22H40O11/c1-4-5-6-7-8-9-13(10-14(23)24)32-22-20(18(28)16(26)12(3)31-22)33-21-19(29)17(27)15(25)11(2)30-21/h11-13,15-22,25-29H,4-10H2,1-3H3,(H,23,24)/t11-,12-,13?,15-,16-,17+,18+,19+,20+,21-,22-/m0/s1
SMILES (Click to copy)
O([C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@H](O)[C@@H](O)[C@H](C)O1)C(CCCCCCC)CC(=O)O

Other Databases

PubChem CID
54432023

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 2
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 458.49
Topological Polar Surface Area 179.51
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 3.04
Molar Refractivity 119.71

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Created at
-
Updated at
14th May 2021