LIPID MAPS

Structure Database (LMSD)

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Common Name

Murideoxycholic acid 3-acetate

Systematic Name

3α-acetyloxy-6β-hydroxy-5β-cholan-24-oic acid

Synonyms

LM ID

LMST04010476

Formula

C₂₆H₄₂O₅

Exact Mass

Calculate m/z

434.303226

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

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)

CPHZORNGFXCINL-XCBMTHRRSA-N

InChi (Click to copy)

InChI=1S/C26H42O5/c1-15(5-8-24(29)30)19-6-7-20-18-14-23(28)22-13-17(31-16(2)27)9-11-26(22,4)21(18)10-12-25(19,20)3/h15,17-23,28H,5-14H2,1-4H3,(H,29,30)/t15-,17-,18+,19-,20+,21+,22+,23-,25-,26-/m1/s1

SMILES (Click to copy)

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

Calculated Physicochemical Properties

Heavy Atoms 31

Rings 4

Aromatic Rings

Rotatable Bonds 6

Van der Waals Molecular Volume 447.59

Topological Polar Surface Area 83.83

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 5

logP 5.62

Molar Refractivity 119.22

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Created at

6th Aug 2026

Updated at