y]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]-
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![y]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/03e0bfefe76d4d0c998a3ded880422d7.png "y]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]-")
y]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]-
structure -
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CAS No:
6050-48-2
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Formula:
C45H74N7O20P3S
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Chemical Name:
y]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]-
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Synonyms:
cholyl-coenzyme A;Choloyl-CoA;Cholyl-coenzyme A;Choloyl-coenzyme A;cholyl-CoA;3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-one-CoA;3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl-coenzyme A;S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-CoA;3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl-CoA;Cholanoyl Coenzyme A;Coenzyme A, S-cholate;CHEBI:15519;C01794;Q27098074;y]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]-;3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate};6050-48-2;9H-purin-6-amine,9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]thio]ethyl]amino]propyl]amino]butyl]ox;Cholane-24-thioic acid, 3,7,12-trihydroxy-, S-ester with coenzyme A, (3alpha,5beta,7alpha,12alpha)-
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CAS No:
Description
Choloyl-CoA is a steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cholic acid. It derives from a cholic acid. It is a conjugate acid of a choloyl-CoA(4-).
y]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]- Basic Attributes
1158.1 g/mol
1157.39221994 g/mol
Computed Properties
Molecular Weight:1158.1
XLogP3:-1.9
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:25
Rotatable Bond Count:24
Exact Mass:1157.39221994
Monoisotopic Mass:1157.39221994
Topological Polar Surface Area:450
Heavy Atom Count:76
Complexity:2210
Defined Atom Stereocenter Count:16
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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