Structure database (LMSD)

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LM IDLMFA13030015
Common Name3-O-α-L-rhamnopyranosyl-3-hydroxypalmitoyl-3-hydroxydecanoic acid
Systematic Name3-O-α-L-rhamnopyranosyl-3-hydroxyhexadecanoyl-3-hydroxydecanoic acid
Synonyms-
Exact Mass
588.4237 (neutral)    Calculate m/z:
FormulaC32H60O9
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassRhamnolipids [FA1303]
PubChem CID-
InChIKeyIZDHPTNSHYNWRJ-LUFCMLNSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C32H60O9/c1-4-6-8-10-11-12-13-14-15-17-19-21-26(41-32-31(38)30(37)29(36)24(3)39-32)23-28(35)40-25(22-27(33)34)20-18-16-9-7-5-2/h24-26,29-32,36-38H,4-23H2,1-3H3,(H,33,34)/t24-,25?,26?,29-,30+,31+,32-/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(CCCCCCCCCCCCC)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 Atoms41Rings1Aromatic Rings0Rotatable Bonds26
 van der Waals
Molecular Volume
623.63Topological Polar
Surface Area
144.82Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
9
 logP8.04Molar
Refractivity
162.02