Products 1308875-33-3

CAS 1308875-33-3 is the registry number for 2-(1,2-Epoxy-1,2-dihydrophenyl)acetyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.

2-(1,2-Epoxy-1,2-dihydrophenyl)acetyl-CoA
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-(1,2-epoxy-1,2-dihydrophenyl)acetic acid. It is a conjugate acid of a 2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC29H42N7O18P3S
Molecular weight901.7 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] 2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanethioate
InChIKeyZTMHVINYLDVBNO-FOGVYBFTSA-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)CC45C=CC=CC4O5)O

Computed by PubChem (NCBI)

Synonyms: 2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA, 2-(7-oxabicyclo(4.1.0)hepta-2,4-dien-1-yl)acetyl-CoA, 2-{7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl}acetyl-CoA, orb3022304
Isomers (same molecular formula)
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] 2-(3H-oxepin-2-ylidene)ethanethioate C29H42N7O18P3S
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] 2-hydroxy-6-methylbenzenecarbothioate C29H42N7O18P3S
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] 2-phenoxyethanethioate C29H42N7O18P3S
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] 2-hydroxy-2-phenylethanethioate C29H42N7O18P3S

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