Structure Database (LMSD)

Common Name
3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid
Systematic Name
3-O-(2-O-(2E-decenoyl)-α-L-rhamnopyranosyl)-3-hydroxydecanoic acid
Synonyms
LM ID
LMFA13030004
Formula
C36H64O10
Exact Mass
Calculate m/z
656.44995
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 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)
LCKJKDMAMQKASH-PVZWOYHTSA-N
InChi (Click to copy)
InChI=1S/C36H64O10/c1-5-8-11-14-15-18-21-24-31(39)46-35-34(42)33(41)27(4)43-36(35)45-29(23-20-17-13-10-7-3)26-32(40)44-28(25-30(37)38)22-19-16-12-9-6-2/h21,24,27-29,33-36,41-42H,5-20,22-23,25-26H2,1-4H3,(H,37,38)/b24-21+/t27-,28?,29?,33-,34+,35+,36-/m0/s1
SMILES (Click to copy)
O([C@H]1[C@H](OC(/C=C/CCCCCCC)=O)[C@H](O)[C@@H](O)[C@H](C)O1)C(CCCCCCC)CC(=O)OC(CCCCCCC)CC(=O)O

Other Databases

PubChem CID
14623731

Calculated Physicochemical Properties

Heavy Atoms 46
Rings 1
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 696.34
Topological Polar Surface Area 150.89
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 10
logP 9.17
Molar Refractivity 180.70

Admin

Created at
-
Updated at
14th May 2021