Compound

chenodeoxycholate 3-sulfate

CHEBI:234532ChEBI

Structure

2D depiction · 3D model shown

Loading the model…

A generated conformer of chenodeoxycholate 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: C24H38O7S
Mass: 470.628 g/mol
Charge: -2
InChIKey: WHMOBEGYTDWMIG-BSWAIDMHSA-L
SMILES: [H][C@@]12C[C@H](OS(=O)(=O)[O-])CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)[O-])[C@]1([H])[C@H](O)C2
Look it up: ChEBI PubChem By InChIKey

Identity from ChEBI, geometry from PubChem. Not evidence.

What the reference databases state

Chemical structure

chenodeoxycholate 3-sulfate has the functional parent chenodeoxycholateCompoundChEBI CHEBI:234532Inferred only

Statements

1 statement

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

Order

chenodeoxycholate is converted to chenodeoxycholate 3-sulfateCompoundRhea RHEA:85739Inferred only

Reactions

1 reaction

chenodeoxycholate+3'-phosphoadenylyl sulfatechenodeoxycholate 3-sulfate+adenosine 3',5'-bisphosphate+hydron
Catalysed by SULT2A1
Reaction pageLeft to rightBalanced
Rhea RHEA:85739CC BY 4.0Reference data

Other names

2 names

Resolves to: chenodeoxycholate 3-sulfate

Also called: CDCA 3-sulfate(2-)CDCA 3-sulfate(2−)