3-Aminobutanoyl-CoA

cas: 74867-71-3 — see every product listed under this CAS number, including other names

3-Aminobutanoyl-CoA (CAS 74867-71-3) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas74867-71-3
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Structural formula: {0} (CAS {1})

3-aminobutyryl-CoA is an aminobutanoyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-aminobutanoic acid. It is functionally related to a butyryl-CoA and a 3-aminobutanoic acid. It is a conjugate acid of a 3-aminobutyryl-CoA(3-).

Source: ChEBI

Identity
Molecular formulaC25H43N8O17P3S
Molecular weight852.6 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-aminobutanethioate
InChIKeyCCSDHAPTHIKZLY-RMNRSTNRSA-N
SMILESCC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O)N

Computed by PubChem (NCBI)

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