Structure database (LMSD)

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LM IDLMFA13030014
Common Name3-O-α-L-rhamnopyranosyl-3-hydroxymyristoyl-3-hydroxydecanoic acid
Systematic Name3-O-α-L-rhamnopyranosyl-3-hydroxytetradecanoyl-3-hydroxydecanoic acid
Synonyms-
Exact Mass
560.3924 (neutral)    Calculate m/z:
FormulaC30H56O9
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassRhamnolipids [FA1303]
PubChem CID-
InChIKeyWMDBOPHOMUTUIP-WKLDAGSTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H56O9/c1-4-6-8-10-11-12-13-15-17-19-24(39-30-29(36)28(35)27(34)22(3)37-30)21-26(33)38-23(20-25(31)32)18-16-14-9-7-5-2/h22-24,27-30,34-36H,4-21H2,1-3H3,(H,31,32)/t22-,23?,24?,27-,28+,29+,30-/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(CCCCCCCCCCC)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 Atoms39Rings1Aromatic Rings0Rotatable Bonds24
 van der Waals
Molecular Volume
589.03Topological Polar
Surface Area
144.82Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
9
 logP7.26Molar
Refractivity
152.78