Structure Database (LMSD)

Common Name
2,6-Dimethyl-6-O-beta-D-quinovopyranosyl-7-octadecenoic acid
Systematic Name
2,6-Dimethyl-6-O-β-D-quinovopyranosyl-7-octadecenoic acid
Synonyms
LM ID
LMFA13010036
Formula
C16H28O7
Exact Mass
Calculate m/z
332.183505
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
Albizia procera (#384949)
Magnoliopsida (#3398)
Astonishing diversity of natural surfactants: 1. Glycosides of fatty acids and alcohols.,
Lipids, 2004
Pubmed ID: 15691016

String Representations

InChiKey (Click to copy)
RMLMMXWVQHEIFK-CWCIOTKFSA-N
InChi (Click to copy)
InChI=1S/C16H28O7/c1-5-16(4,8-6-7-9(2)14(20)21)23-15-13(19)12(18)11(17)10(3)22-15/h5,9-13,15,17-19H,1,6-8H2,2-4H3,(H,20,21)/t9?,10-,11-,12+,13-,15+,16?/m1/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O1)C(CCCC(C)C(O)=O)(C=C)C

Other Databases

PubChem CID
10544552

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 329.25
Topological Polar Surface Area 118.52
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 2.38
Molar Refractivity 85.77

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Created at
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Updated at
15th Jun 2021