Products 6049-57-6

CAS 6049-57-6 appears in our catalog under these names: Ethylmalonyl Coenzyme A, S-(hydrogen2-ethylpropanedioate)coenzymeA, Ethylmalonyl-CoA. Offered by: GLPBio, Chemat, MedChemExpress. Available pack sizes: 500µg, 1mg, 10mg, 5mg, Get quote.

Ethylmalonyl Coenzyme A
GLPBio
  • size: 500µg, 1mg, 10mg, 5mg
  • Variants: 4
from 756.18
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S-(hydrogen2-ethylpropanedioate)coenzymeA
Chemat
  • size: 1mg
  • Variants: 1
from 3040.40
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Ethylmalonyl-CoA
MedChemExpress
  • size: Get quote
  • Variants: 1
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Structural formula: {0} (CAS {1})

2-[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]ethylsulfanylcarbonyl]butanoic acid (CAS 6049-57-6) is a chemical compound with the molecular formula C26H42N7O19P3S and a molecular weight of 881.6 g/mol. IUPAC name: 2-[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]ethylsulfanylcarbonyl]butanoic acid. InChIKey: VUGZQVCBBBEZQE-MIZDRFBCSA-N.

Identity
Molecular formulaC26H42N7O19P3S
Molecular weight881.6 g/mol
IUPAC name2-[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]ethylsulfanylcarbonyl]butanoic acid
InChIKeyVUGZQVCBBBEZQE-MIZDRFBCSA-N
SMILESCCC(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: Ethylmalonyl coenzyme A, S-(hydrogen2-ethylpropanedioate)coenzymeA, ethylmalonyl-CoA, Ethylmalonyl Coenzyme A (sodium salt), orb3022245, PubChem CID: 16757550; (Acyl-CoA); [M+H]+;
Related forms of this compound
(2S)-2-[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]ethylsulfanylcarbonyl]butanoic acid C26H42N7O19P3S
Isomers (same molecular formula)
5-[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]-5-oxopentanoic acid C26H42N7O19P3S