Structure Database (LMSD)

Common Name
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxynonanoic acid
Systematic Name
2-O-(β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl) 2S-hydroxynonanoic acid
Synonyms
LM ID
LMFA13010046
Formula
C21H38O13
Exact Mass
Calculate m/z
498.231245
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty acyl glycosides [FA13]
Fatty acyl glycosides of mono- and disaccharides [FA1301]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lichtheimia corymbifera (#42458)
Mucoromycetes (#2212703)
Astonishing diversity of natural surfactants: 1. Glycosides of fatty acids and alcohols.,
Lipids, 2004
Pubmed ID: 15691016

String Representations

InChiKey (Click to copy)
MMMJHIANFCEHGC-ZNWZNZTISA-N
InChi (Click to copy)
InChI=1S/C21H38O13/c1-2-3-4-5-6-7-10(19(29)30)32-21-18(28)16(26)14(24)12(34-21)9-31-20-17(27)15(25)13(23)11(8-22)33-20/h10-18,20-28H,2-9H2,1H3,(H,29,30)/t10-,11+,12+,13-,14-,15-,16-,17+,18+,20+,21+/m0/s1
SMILES (Click to copy)
CCCCCCC[C@H](O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O2)O1)C(=O)O

Other Databases

PubChem CID
56936280

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 2
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 458.77
Topological Polar Surface Area 219.97
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 13
logP 1.16
Molar Refractivity 118.90

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Created at
-
Updated at
11th May 2021