LIPID MAPS

Structure Database (LMSD)

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Common Name

Lanceolitol A5

Systematic Name

D-myo-inositol-2-O-9-methylheptadecanoyl-1-O-β-D-xylopyranoside

Synonyms

LM ID

LMFA13000005

Formula

C₂₉H₅₄O₁₁

Exact Mass

Calculate m/z

578.366616

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)

VUSHWWGJNWOMPX-QMMQQJCVSA-N

InChi (Click to copy)

InChI=1S/C29H54O11/c1-3-4-5-6-8-11-14-18(2)15-12-9-7-10-13-16-20(31)39-27-24(35)22(33)23(34)25(36)28(27)40-29-26(37)21(32)19(30)17-38-29/h18-19,21-30,32-37H,3-17H2,1-2H3/t18?,19-,21+,22+,23+,24-,25-,26-,27-,28+,29+/m1/s1

SMILES (Click to copy)

C(=O)(CCCCCCCC(C)CCCCCCCC)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

101746963

Calculated Physicochemical Properties

Heavy Atoms 40

Rings 2

Aromatic Rings

Rotatable Bonds 19

Van der Waals Molecular Volume 579.59

Topological Polar Surface Area 188.44

Hydrogen Bond Donors 7

Hydrogen Bond Acceptors 11

logP 4.45

Molar Refractivity 151.63

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Created at

17th Mar 2025

Updated at