Structure database (LMSD)

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LM IDLMFA13030011
Common Name3-O-α-L-rhamnopyranosyl-3-hydroxynonanoyl-3-hydroxydecanoic acid
Systematic Name3-O-α-L-rhamnopyranosyl-3-hydroxynonanoyl-3-hydroxydecanoic acid
Synonyms-
Exact Mass
490.3142 (neutral)    Calculate m/z:
FormulaC25H46O9
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassRhamnolipids [FA1303]
PubChem CID-
InChIKeyXHNBTUJCLWCVLZ-WAJLVERESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C25H46O9/c1-4-6-8-10-12-13-18(15-20(26)27)33-21(28)16-19(14-11-9-7-5-2)34-25-24(31)23(30)22(29)17(3)32-25/h17-19,22-25,29-31H,4-16H2,1-3H3,(H,26,27)/t17-,18?,19?,22-,23+,24+,25-/m0/s1
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SMILES
O([C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)C(CCCCCC)CC(=O)OC(CCCCCCC)CC(=O)O
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StatusActive
ReferencesCharacterization of a New Mixture of Mono-Rhamnolipids Produced by Pseudomonas gessardii Isolated From Edmonson Point (Antarctica)
Mar Drugs. 2020
DOI: 10.3390/md18050269
PMID: 32443698
Calculated physicochemical properties (?):
 Heavy Atoms34Rings1Aromatic Rings0Rotatable Bonds19
 van der Waals
Molecular Volume
502.53Topological Polar
Surface Area
144.82Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
9
 logP5.31Molar
Refractivity
129.70