Structure database (LMSD)

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LM IDLMFA13030004
Common Name3-O-(2-O-(2E-decenoyl)-α-L-rhamnopyranosyl)-3-hydroxydecanoic acid
Systematic Name3-O-(2-O-(2E-decenoyl)-α-L-rhamnopyranosyl)-3-hydroxydecanoic acid
Synonyms-
Exact Mass
656.4500 (neutral)    Calculate m/z:
FormulaC36H64O10
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassRhamnolipids [FA1303]
PubChem CID56936288
InChIKeyLCKJKDMAMQKASH-GHXRWXCRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C36H64O10/c1-5-8-11-14-15-18-21-24-31(39)46-35-34(42)33(41)27(4)43-36(3
5)45-29(23-20-17-13-10-7-3)26-32(40)44-28(25-30(37)38)22-19-16-12-9-6-2/h21,24,2
7-29,33-36,41-42H,5-20,22-23,25-26H2,1-4H3,(H,37,38)/b24-21+/t27?,28?,29?,33-,34
?,35-,36?/m0/s1
SMILES[C@H]1(OC(/C=C/CCCCCCC)=O)C(O)[C@@H](O)C(C)OC1OC(CCCCCCC)CC(=O)OC(CCCCCCC)CC(=O)
O
StatusActive
ReferencesAstonishing diversity of natural surfactants:
1. Glycosides of fatty acids and alcohols
Valery M. Dembitsky, LIPIDS
Volume 39, Number 10, 933-953 (2004)
Calculated physicochemical properties (?):
 Heavy Atoms46Rings1Aromatic Rings0Rotatable Bonds29
 van der Waals
Molecular Volume
696.34Topological Polar
Surface Area
150.89Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
10
 logP9.17Molar
Refractivity
180.70