LIPID MAPS

Structure Database (LMSD)

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Systematic Name

methyl 3α-hydroxy-15α-O-β-D-glucopyranosyloxy-5β-cholan-24-oate

Synonyms

LM ID

LMST04010480

Formula

C₃₁H₅₂O₉

Exact Mass

Calculate m/z

568.361136

Sum Composition

ST 25:1;O4;Hex

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aspergillus minisclerotigenes (#656917)

Eurotiomycetes (#147545)

Ten undescribed derivatives of lithocholic acid produced by biotransformation and their anti-neuroinflammatory activity.,
Steroids, 2026

Pubmed ID: 42476486

DOI: 10.1016/j.steroids.2026.109834

String Representations

InChiKey (Click to copy)

VTPBASGHCOJJAZ-UHUQWPHHSA-N

InChi (Click to copy)

InChI=1S/C31H52O9/c1-16(5-8-24(34)38-4)21-14-22(39-29-28(37)27(36)26(35)23(15-32)40-29)25-19-7-6-17-13-18(33)9-11-30(17,2)20(19)10-12-31(21,25)3/h16-23,25-29,32-33,35-37H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22+,23-,25-,26-,27+,28-,29-,30+,31-/m1/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4([C@@]([C@]3([H])CC[C@]2([H])C[C@H](O)C1)([H])[C@@H](O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C[C@]4([H])[C@]([H])(C)CCC(OC)=O)C