Glycochenodeoxycholic acid
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Glycochenodeoxycholic acid
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CAS No:
640-79-9
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Formula:
C26H43NO5
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Chemical Name:
Glycochenodeoxycholic acid
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Synonyms:
Glycine,N-[(3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl]-;Glycochenodeoxycholic acid;Glycine,N-(3α,7α-dihydroxy-5β-cholan-24-oyl)-;5β-Cholan-24-amide,N-(carboxymethyl)-3α,7α-dihydroxy-;Cholane,glycine deriv.;N-[(3α,5β,7α)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine;Chenodeoxycholic acid glycine conjugate;Glycine chenodeoxycholate;12-Deoxycholylglycine;Glycochenodeoxycholate;12-Desoxycholylglycine;3α,7α-Dihydroxy-N-(carboxymethyl)-5β-cholan-24-amide;Chenodeoxycholylglycine;Glycylchenodeoxycholic acid;Chenodeoxyglycocholic acid;36258-33-0
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CAS No:
Description
Glycochenodeoxycholic acid is a bile salt formed in the liver from chenodeoxycholate and glycine; used to induce hepatocyte apoptosis in research.
Solid
Glycochenodeoxycholic acid is a bile acid glycine conjugate having 3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl as the bile acid component. It has a role as a human metabolite. It derives from a chenodeoxycholic acid. It is a conjugate acid of a glycochenodeoxycholate.|A bile salt formed in the liver from chenodeoxycholate and glycine, usually as the sodium salt. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is a cholagogue and choleretic.
Characteristics
110.35000
4.43440
Solid
1.162±0.06 g/cm3(Predicted)
3.15 mg/L (at 20 °C)
203.3 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|198.85 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|218.8 Ų [M-H]- [CCS Type: DT, Method: stepped-field]|196.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|203.6 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|200.7 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Drug Information
Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties. (See all compounds classified as Detergents.)
Acid, Glycochenodeoxycholic
Glycochenodeoxycholic acid Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Steroid conjugates [ST05] -> Glycine conjugates [ST0503]
Computed Properties
Molecular Weight:449.6
XLogP3:4.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:449.31412347
Monoisotopic Mass:449.31412347
Topological Polar Surface Area:107
Heavy Atom Count:32
Complexity:727
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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