Usually used in a study to assess the repair of DNA damage induced by bile salts,and also used in a study to investigate enterotoxin production by Clostridium perfringens type A in the presence of human bile salts.

Specifications

Synonyms

Specifications & Purity

≥97%(HPLC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%(HPLC)

Names and Identifiers

Pubchem Sid	488200397
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488200397
Canonical Smiles	CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]
IUPAC Name	sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate
InChIKey	AAYACJGHNRIFCT-YRJJIGPTSA-M
INCHI	1S/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-;/m1./s1
Isomeric SMILES	C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]
Molecular Weight	471.61

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

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📊 Datasheet

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Bile acids, alcohols and derivatives

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Bile acids, alcohols and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Glycinated bile acids and derivatives
Alternative Parents	Dihydroxy bile acids, alcohols and derivatives 3-alpha-hydroxysteroids 7-hydroxysteroids N-acyl-alpha amino acids N-acyl amines Secondary carboxylic acid amides Secondary alcohols Carboxylic acid salts Cyclic alcohols and derivatives Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organic sodium salts Organopnictogen compounds Organic zwitterions Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Glycinated bile acid - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 7-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - N-acyl-amine - Fatty amide - Fatty acyl - Cyclic alcohol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organic salt - Organic sodium salt - Hydrocarbon derivative - Alcohol - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic zwitterion - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as glycinated bile acids and derivatives. These are compounds with a structure characterized by the presence of a glycine linked to a bile acid skeleton.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
B23021133	Certificate of Analysis	Oct 30, 2025	S167765
B23021145	Certificate of Analysis	Oct 30, 2025	S167765
B23021146	Certificate of Analysis	Oct 30, 2025	S167765
B23021159	Certificate of Analysis	Oct 30, 2025	S167765
B23021160	Certificate of Analysis	Oct 30, 2025	S167765
B23021172	Certificate of Analysis	Oct 30, 2025	S167765
B23021192	Certificate of Analysis	Oct 30, 2025	S167765
B23021201	Certificate of Analysis	Oct 30, 2025	S167765
B23021208	Certificate of Analysis	Oct 30, 2025	S167765
B23021132	Certificate of Analysis	Oct 30, 2025	S167765
B2303111	Certificate of Analysis	Oct 30, 2025	S167765
K2505614	Certificate of Analysis	Oct 20, 2025	S167765
K2505613	Certificate of Analysis	Oct 20, 2025	S167765
K2505606	Certificate of Analysis	Oct 20, 2025	S167765
I1919069	Certificate of Analysis	Apr 09, 2025	S167765
K2130593	Certificate of Analysis	Sep 19, 2024	S167765
K2130594	Certificate of Analysis	Sep 19, 2024	S167765
K2130595	Certificate of Analysis	Sep 19, 2024	S167765
J2111118	Certificate of Analysis	Jul 03, 2024	S167765
B2303027	Certificate of Analysis	Nov 24, 2022	S167765

Solubility	DMSO (Slightly, Heated), Methanol (Slightly), Water (Slightly, Sonicated)
Sensitivity	Hygroscopic；Air sensitive
Melt Point(°C)	170℃
Molecular Weight	471.600 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	471.296 Da
Monoisotopic Mass	471.296 Da
Topological Polar Surface Area	110.000 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	733.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Sodium glycochenodeoxycholate - ≥97%(HPLC) , CAS No.16564-43-5

Why this grade

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Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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