Structure Database (LMSD)

Common Name
3-O-alpha-L-rhamnopyranosyl-3-hydroxydecanoic acid
Systematic Name
3-O-α-L-rhamnopyranosyl-3-hydroxydecanoic acid
Synonyms
  • 3-O-L-rhamnsyl-3-hydroxydecanoic acid
LM ID
LMFA13030003
Formula
C16H30O7
Exact Mass
Calculate m/z
334.199155
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)
ULYNCQBACUVFJM-VOAZLFSDSA-N
InChi (Click to copy)
InChI=1S/C16H30O7/c1-3-4-5-6-7-8-11(9-12(17)18)23-16-15(21)14(20)13(19)10(2)22-16/h10-11,13-16,19-21H,3-9H2,1-2H3,(H,17,18)/t10-,11?,13-,14+,15+,16-/m0/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)C(CCCCCCC)CC(=O)O

Other Databases

PubChem CID
101630902

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 331.89
Topological Polar Surface Area 118.52
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 2.75
Molar Refractivity 85.93

Admin

Created at
-
Updated at
14th May 2021