LIPID MAPS

Structure Database (LMSD)

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Common Name

Lanceolitol B1

Systematic Name

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

Synonyms

LM ID

LMFA13000008

Formula

C₂₄H₄₄O₁₂

Exact Mass

Calculate m/z

524.283281

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)

MSXBSEGLYYYAMI-SIMUINMQSA-N

InChi (Click to copy)

InChI=1S/C24H44O12/c1-2-3-4-5-6-7-8-9-10-11-14(26)35-22-19(31)17(29)18(30)20(32)23(22)36-24-21(33)16(28)15(27)13(12-25)34-24/h13,15-25,27-33H,2-12H2,1H3/t13-,15-,16+,17+,18+,19-,20-,21-,22-,23+,24+/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)[C@@H](CO)O1

Other Databases

PubChem CID

101746966

Calculated Physicochemical Properties

Heavy Atoms 36

Rings 2

Aromatic Rings

Rotatable Bonds 15

Van der Waals Molecular Volume 501.88

Topological Polar Surface Area 208.67

Hydrogen Bond Donors 8

Hydrogen Bond Acceptors 12

logP 1.90

Molar Refractivity 130.51

Admin

Created at

17th Mar 2025

Updated at