Products 104809-02-1

CAS 104809-02-1 appears in our catalog under these names: Methyl-malonyl-coenzyme A, Methylmalonyl-CoA (tetralithium), 98%. Offered by: Biosynth, MedChemExpress. Available pack sizes: 10mg, 5mg, 1 mg.

Methyl-malonyl-coenzyme A
Biosynth
  • size: 10mg, 5mg
  • Variants: 2
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Methylmalonyl-CoA (tetralithium), 98%
MedChemExpress
  • size: 1 mg
  • Variants: 1
from 2325.90
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Structural formula: {0} (CAS {1})

(S)-methylmalonyl-CoA is the (S)-enantiomer of methylmalonyl-CoA. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is functionally related to a coenzyme A. It is a conjugate acid of a (S)-methylmalonyl-CoA(5-).

Source: ChEBI

Identity
Molecular formulaC25H40N7O19P3S
Molecular weight867.6 g/mol
IUPAC name(2S)-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]-2-methyl-3-oxopropanoic acid
InChIKeyMZFOKIKEPGUZEN-IBNUZSNCSA-N
SMILESC[C@@H](C(=O)O)C(=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

Computed by PubChem (NCBI)

Synonyms: (S)-Methylmalonyl-CoA, (2S)-Methylmalonyl-CoA, D-methylmalonyl-CoA, (S)-2-Methyl-3-oxopropanoyl-CoA, (S)-2-Methyl-3-oxopropionyl-CoA, (S)-3-oxo-2-methylpropanoyl-CoA, (2S)-methyl-malonyl-CoA, S-Methylmalonyl-CoA, (S)-Methylmalonyl-coenzyme A
Related forms of this compound
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]-2-methyl-3-oxopropanoic acid C25H40N7O19P3S
(2S)-3-[2-[3-[[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]-2-methyl-3-oxopropanoic acid C25H40N7O19P3S
(2R)-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]-2-methyl-3-oxopropanoic acid C25H40N7O19P3S
Isomers (same molecular formula)
4-[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]-4-oxobutanoic acid C25H40N7O19P3S