Caffeoyl-coenzym A

cas: 53034-79-0 — see every product listed under this CAS number, including other names

Caffeoyl-coenzym A (CAS 53034-79-0) is a chemical reagent available from Chemat. Available pack sizes: 2mg, 1mg, 5mg, 10mg. Offered by: Biosynth.

brandBiosynth
catalog numberNC183541-2mg
cas53034-79-0
size2mg
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properties

categoryNucleosides
sub-category 1Nucleosides, Nucleotides and Nucleic acids
purityNo data
delivery time4-6 weeks
Structural formula: {0} (CAS {1})

S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enethioate (CAS 53034-79-0) is a chemical compound with the molecular formula C30H42N7O19P3S and a molecular weight of 929.7 g/mol. IUPAC name: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enethioate. InChIKey: QHRGJMIMHCLHRG-GQCTYLIASA-N.

Identity
Molecular formulaC30H42N7O19P3S
Molecular weight929.7 g/mol
IUPAC nameS-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enethioate
InChIKeyQHRGJMIMHCLHRG-GQCTYLIASA-N
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC(=C(C=C4)O)O)O

Computed by PubChem (NCBI)

Synonyms: Caffeoyl-coenzyme A, Coenzyme A, caffeoyl-, Coenzyme A, S-(3-(3,4-dihydroxyphenyl)-2-propenoate), Caffeoyl-Coenzym A
Isomers (same molecular formula)
3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxo-2-phenylpropanoic acid C30H42N7O19P3S

Also listed as

S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 3-(3,4-dihydroxyphenyl)prop-2-enethioate, ≥85%, ≥85% Chemat CAS 53034-79-0
Caffeoyl-CoA MedChemExpress CAS 53034-79-0