LIPID MAPS

Structure Database (LMSD)

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Common Name

Lanceolitol A1

Systematic Name

D-myo-inositol-2-O-dodecanoyl-1-O-β-D-xylopyranoside

Synonyms

LM ID

LMFA13000001

Formula

C₂₃H₄₂O₁₁

Exact Mass

Calculate m/z

494.272716

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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)

RMJNHXIZQMXYGK-QEHNMRSISA-N

InChi (Click to copy)

InChI=1S/C23H42O11/c1-2-3-4-5-6-7-8-9-10-11-14(25)33-21-18(29)16(27)17(28)19(30)22(21)34-23-20(31)15(26)13(24)12-32-23/h13,15-24,26-31H,2-12H2,1H3/t13-,15+,16+,17+,18-,19-,20-,21-,22+,23+/m1/s1

SMILES (Click to copy)

C(=O)(CCCCCCCCCCC)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

101746959

Calculated Physicochemical Properties

Heavy Atoms 34

Rings 2

Aromatic Rings

Rotatable Bonds 14

Van der Waals Molecular Volume 475.79

Topological Polar Surface Area 188.44

Hydrogen Bond Donors 7

Hydrogen Bond Acceptors 11

logP 2.25

Molar Refractivity 123.99

Admin

Created at

17th Mar 2025

Updated at