Structure Database (LMSD)

Common Name
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxytridecanoic acid
Systematic Name
2-O-(β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl) 2S-hydroxytridecanoic acid
Synonyms
LM ID
LMFA13010048
Formula
C25H46O13
Exact Mass
Calculate m/z
554.293845
Status
Curated
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)
MBOSFCFYOLTTNJ-DOBKLUGSSA-N
InChi (Click to copy)
InChI=1S/C25H46O13/c1-2-3-4-5-6-7-8-9-10-11-14(23(33)34)36-25-22(32)20(30)18(28)16(38-25)13-35-24-21(31)19(29)17(27)15(12-26)37-24/h14-22,24-32H,2-13H2,1H3,(H,33,34)/t14-,15+,16+,17-,18-,19-,20-,21+,22+,24+,25+/m0/s1
SMILES (Click to copy)
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@@H](CCCCCCCCCCC)C(=O)O

Other Databases

PubChem CID
56936282

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 2
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 527.97
Topological Polar Surface Area 219.97
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 13
logP 2.72
Molar Refractivity 137.37

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Created at
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Updated at
11th May 2021