LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3α,6β-dihydroxy-5β-cholan-14-en-24-oic acid

Synonyms

LM ID

LMST04010483

Formula

C₂₄H₃₈O₄

Exact Mass

Calculate m/z

390.277011

Sum Composition

ST 24:2;O4

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)

INTQLEJPAFGXCM-PWQJCYKHSA-N

InChi (Click to copy)

InChI=1S/C24H38O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h6,14-17,19-21,25-26H,4-5,7-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,19+,20+,21-,23-,24-/m1/s1

SMILES (Click to copy)

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

Calculated Physicochemical Properties

Heavy Atoms 28

Rings 4

Aromatic Rings

Rotatable Bonds 4

Van der Waals Molecular Volume 404.20

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 4.97

Molar Refractivity 109.65

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Created at

6th Aug 2026

Updated at