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3′-Dephosphocoenzyme A - ≥90%, high purity , CAS No.3633-59-8
a chemical reagent that is the direct precursor of coenzyme A. It is used for the synthesis of coenzyme A by bifunctional CoA S
Basic Description
Synonyms
HY-137899 | dephospho-CoA | 3'-desphospho-coenzyme A | KDTSHFARGAKYJN-IBOSZNHHSA-N | 3'-dephospho cOa | 3'-O-dephosphono-Coenzyme A | Desphospho-CoA | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,
Specifications & Purity
≥90%
Biochemical and Physiological Mechanisms
3′-dephosphoric acid coenzyme A (DepCoA) , also known as dephosphoric acid coenzyme A (dpCoA) , is synthesized from 4-phospho-panacetamide by phospho-panacetamide adenyltransferase. It is an intermediate in coenzyme a biosynthesis pathway. In the presence
Storage Temp
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
3'-Dephosphocoenzyme A is a chemical reagent that is the direct precursor of coenzyme A. It is used for the synthesis of coenzyme A by bifunctional CoA Synthase.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Purine nucleotides
Subclass
Purine ribonucleotides
Intermediate Tree Nodes
Not available
Direct Parent
Purine ribonucleoside diphosphates
Alternative Parents
Purine ribonucleoside monophosphates Pentose phosphates Beta amino acids and derivatives Glycosylamines 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Aminopyrimidines and derivatives Monoalkyl phosphates N-substituted imidazoles N-acyl amines Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Alkylthiols Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary amines Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purine ribonucleoside diphosphate - Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Pyrimidine - Fatty amide - Imidolactam - Monosaccharide - Fatty acyl - Phosphoric acid ester - Alkyl phosphate - Azole - Heteroaromatic compound - Imidazole - Tetrahydrofuran - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Alkylthiol - Oxacycle - Azacycle - Organic oxide - Organooxygen compound - Organosulfur compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Primary amine - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.
External Descriptors
adenosine 5'-phosphate
Data sources
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.
Names and Identifiers
IUPAC Name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
INCHI
InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15-,16+,20-/m1/s1
InChIKey
KDTSHFARGAKYJN-IBOSZNHHSA-N
Smiles
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)C(C(=O)NCCC(=O)NCCS)O
Isomeric SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O
Molecular Weight
687.55
Reaxy-Rn
41383516
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41383516&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
50 mg/ml in water
Molecular Weight
687.600 g/mol
XLogP3
-4.700
Hydrogen Bond Donor Count
9
Hydrogen Bond Acceptor Count
18
Rotatable Bond Count
16
Exact Mass
687.149 Da
Monoisotopic Mass
687.149 Da
Topological Polar Surface Area
301.000 Ų
Heavy Atom Count
44
Formal Charge
0
Complexity
1100.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
5
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
1
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H2309320