Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA13030001
Common Name-
Systematic Name3-O-α-L-rhamnopyranosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid
Synonyms3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid
Exact Mass
504.3298 (neutral)    Calculate m/z:
FormulaC26H48O9
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassRhamnolipids [FA1303]
PubChem Compound ID (CID)56936286
InChIKeyPPMPLIBYTIWXPG-NYYLSYLQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C26H48O9/c1-4-6-8-10-12-14-19(16-21(27)28)34-22(29)17-20(15-13-11-9-7-5
-2)35-26-25(32)24(31)23(30)18(3)33-26/h18-20,23-26,30-32H,4-17H2,1-3H3,(H,27,28)
/t18?,19?,20?,23-,24?,25-,26?/m0/s1
SMILESCC1OC(OC(CC(=O)OC(CC(O)=O)CCCCCCC)CCCCCCC)[C@@H](O)C(O)[C@H]1O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms35Rings1Aromatic Rings0Rotatable Bonds20
 van der Waals
Molecular Volume
519.83Topological Polar
Surface Area
144.82Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
9
 logP5.70Molar
Refractivity
134.31    
logo LIPID MAPS is funded by a Wellcome Trust.