LIPID MAPS

Structure Database (LMSD)

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Common Name

11alpha-hydroxylithocholic acid

Systematic Name

3α,11α,12β-Trihydroxy-5β-cholan-24-oic Acid

Synonyms

LM ID

LMST04010371

Formula

C₂₄H₄₀O₅

Exact Mass

Calculate m/z

408.287576

Sum Composition

ST 24:1;O5

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aspergillus ochraceus (#40380)

Eurotiomycetes (#147545)

11α-hydroxylated derivatives of lithocholic acid produced by microbial biotransformation and their anti-aging effects.,
Steroids, 2026

Pubmed ID: 42906741

DOI: 10.1016/j.steroids.2026.109857

String Representations

InChiKey (Click to copy)

ASTJGIPTRWBWLM-ITFKBJAYSA-N

InChi (Click to copy)

InChI=1S/C24H40O5/c1-13(4-9-19(26)27)17-7-8-18-16-6-5-14-12-15(25)10-11-23(14,2)20(16)21(28)22(29)24(17,18)3/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17-,18+,20-,21+,22-,23+,24-/m1/s1

SMILES (Click to copy)

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

Other Databases

CHEBI ID

186731

LIPIDBANK ID

BBA0655

PubChem CID

5284116

Calculated Physicochemical Properties

Heavy Atoms 29

Rings 4

Aromatic Rings 0

Rotatable Bonds 4

Van der Waals Molecular Volume 415.63

Topological Polar Surface Area 97.99

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 5

logP 4.31

Molar Refractivity 111.57

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Created at

Updated at

27th Oct 2026