Structure Database (LMSD)

Common Name
Lanceolitol A7
Systematic Name
D-myo-inositol-2-O-eicosanoyl-1-O-β-D-xylopyranoside
Synonyms
LM ID
LMFA13000007
Formula
C31H58O11
Exact Mass
Calculate m/z
606.397916
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty acyl glycosides [FA13]
Other Fatty acyl glycosides [FA1300]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Solanum lanceolatum (#329782)
Magnoliopsida (#3398)
Myo-inositol-derived glycolipids with anti-inflammatory activity from Solanum lanceolatum.,
J Nat Prod, 2005
Pubmed ID: 16038543

String Representations

InChiKey (Click to copy)
XBMWPUJNCJDGGT-ITEDOLGASA-N
InChi (Click to copy)
InChI=1S/C31H58O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(33)41-29-26(37)24(35)25(36)27(38)30(29)42-31-28(39)23(34)21(32)20-40-31/h21,23-32,34-39H,2-20H2,1H3/t21-,23+,24+,25+,26-,27-,28-,29-,30+,31+/m1/s1
SMILES (Click to copy)
C(=O)(CCCCCCCCCCCCCCCCCCC)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)CO1

Other Databases

PubChem CID
101746965

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 2
Aromatic Rings
Rotatable Bonds 22
Van der Waals Molecular Volume 614.19
Topological Polar Surface Area 188.44
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 11
logP 5.37
Molar Refractivity 160.93

Admin

Created at
17th Mar 2025
Updated at
17th Mar 2025