Compound

lithocholate 3-sulfate

A steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of lithocholic acid sulfate; major species at pH 7.3.

Definition from ChEBI (CHEBI:133940), read 2026-09-23. CC BY 4.0.

CHEBI:133940ChEBI

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Structure

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A generated conformer of lithocholate 3-sulfate — one low-energy arrangement PubChem computed, not a measured structure. Hydrogens are not drawn; the formula counts them.

Class: Organic compound, anion
Formula: C24H38O6S
Mass: 454.629 g/mol
Charge: -2
InChIKey: AXDXVEYHEODSPN-HVATVPOCSA-L
SMILES: [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)[O-])[C@@]1(C)CC[C@@H](OS(=O)(=O)[O-])C2
Look it up: ChEBI PubChem By InChIKey

Identity from ChEBI, geometry from PubChem. Not evidence.

What the reference databases state

Statements

1 statement

1 statement · 1 reference database · Subject: lithocholate 3-sulfate · Sources: Rhea

Order

lithocholate is converted to lithocholate 3-sulfateCompoundRhea RHEA:51064Inferred only

Reactions

1 reaction

lithocholate+3'-phosphoadenylyl sulfatelithocholate 3-sulfate+adenosine 3',5'-bisphosphate+hydron
Catalysed by SULT2A1 or SULT1C3
Reaction pageLeft to rightBalanced
Rhea RHEA:51064CC BY 4.0Reference data

Other names

9 names

Resolves to: lithocholate 3-sulfate

Also called: (3alpha,5beta)-3-(sulfonatooxy)cholan-24-oate(3α,5β)-3-(sulfonatooxy)cholan-24-oatelithocholate 3-sulfate(2-)lithocholate 3-sulfate(2−)lithocholate sulfatesulfolithocholate(2-)sulfolithocholate(2−)
Systematic name: 3alpha-(sulfonatooxy)-5beta-cholan-24-oate3α-(sulfonatooxy)-5β-cholan-24-oate