Chemical Compound

2-oxepin-2(3H)-ylideneacetyl-CoA

2-oxepin-2(3H)-ylideneacetyl-CoA chemical structure
Primary Record

2-oxepin-2(3H)-ylideneacetyl-CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
53377481
SMILES
CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)/C=C/4\CC=CC=CO4)O
Canonical SMILES
CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NCCSC(=O)/C=C1\CC=CC=CO1

Names & Synonyms

  • 2-oxepin-2(3H)-ylideneacetyl-CoA
  • C1496
  • 2-[(2E)-2,3-dihydrooxepin-2-ylidene]acetyl-CoA