3-Indolepropionyl-CoA

cas: 144319-97-1 — see every product listed under this CAS number, including other names

3-Indolepropionyl-CoA (CAS 144319-97-1) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 10mg, 25mg, 50mg. Offered by: TRC, Biosynth.

brandTRC
catalog numberTRC-I900505-100MG
cas144319-97-1
size100mg
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properties

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delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

S-[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]ethyl] 3-(1H-indol-3-yl)propanethioate (CAS 144319-97-1) is a chemical compound with the molecular formula C32H45N8O17P3S and a molecular weight of 938.7 g/mol. IUPAC name: S-[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]ethyl] 3-(1H-indol-3-yl)propanethioate. InChIKey: IXFKVXFSQBQASQ-GRBGHKMPSA-N.

Identity
Molecular formulaC32H45N8O17P3S
Molecular weight938.7 g/mol
IUPAC nameS-[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]ethyl] 3-(1H-indol-3-yl)propanethioate
InChIKeyIXFKVXFSQBQASQ-GRBGHKMPSA-N
SMILESCC(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)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC4=CNC5=CC=CC=C54)O

Computed by PubChem (NCBI)

Synonyms: 3-Indolepropionyl-coenzyme A, IPCoA, 3-Indolepropionyl-CoA, Coenzyme A, 3-indolepropionyl, Coenzyme A, S-1H-indole-3-propanoate, IPCoA; (Acyl-CoA); [M+H]+;