Products 6247-62-7

CAS 6247-62-7 is the registry number for Tigloyl-CoA. Offered by: MedChemExpress. Available pack sizes: 1 mg.

Tigloyl-CoA
MedChemExpress
  • size: 1 mg
  • Variants: 1
from 7796.53
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Structural formula: {0} (CAS {1})

2-methylcrotonoyl-CoA is a monounsaturated fatty acyl-CoA and a 2-enoyl-CoA. It is functionally related to a but-2-enoyl-CoA and a tiglic acid. It is a conjugate acid of a 2-methylcrotonoyl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC26H42N7O17P3S
Molecular weight849.6 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] (E)-2-methylbut-2-enethioate
InChIKeyPMWATMXOQQZNBX-DKBZLLMOSA-N
SMILESC/C=C(\C)/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: 2-methylcrotonoyl-CoA, tiglyl-CoA, methylcrotonyl-CoA, tigloyl-CoA, 2-Methylcrotanoyl-CoA, methylcrotonoyl-CoA, 2-methylcrotonyl-CoA, 2-methylcrotonyl-coenzyme A, 2-methylcrotonoyl-coenzyme A, tigloyl-Coenzyme A
Related forms of this compound
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] (Z)-2-methylbut-2-enethioate C26H42N7O17P3S
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] 3-methylbut-3-enethioate C26H42N7O17P3S
S-[2-[3-[[4-[[[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-methylbut-2-enethioate C26H42N7O17P3S

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