Structure database (LMSD)

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LM IDLMFA13030013
Common Name3-O-α-L-rhamnopyranosyl-3-hydroxydodecanoyl-3-hydroxydecanoic acid
Systematic Name3-O-α-L-rhamnopyranosyl-3-hydroxydodecanoyl-3-hydroxydecanoic acid
Synonyms-
Exact Mass
532.3611 (neutral)    Calculate m/z:
FormulaC28H52O9
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassRhamnolipids [FA1303]
PubChem CID-
InChIKeyLOESYQOOVAOFJL-VPHBYZPJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C28H52O9/c1-4-6-8-10-11-13-15-17-22(37-28-27(34)26(33)25(32)20(3)35-28)19-24(31)36-21(18-23(29)30)16-14-12-9-7-5-2/h20-22,25-28,32-34H,4-19H2,1-3H3,(H,29,30)/t20-,21?,22?,25-,26+,27+,28-/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(CCCCCCCCC)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 Atoms37Rings1Aromatic Rings0Rotatable Bonds22
 van der Waals
Molecular Volume
554.43Topological Polar
Surface Area
144.82Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
9
 logP6.48Molar
Refractivity
143.55