Chemical Compound

oxepin-CoA tetraanion

oxepin-CoA tetraanion chemical structure
Primary Record

oxepin-CoA tetraanion

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
46926226
SMILES
CC(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)/C=C\4/CC=CC=CO4)O
Canonical SMILES
CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C1/CC=CC=CO1

Names & Synonyms

  • oxepin-CoA tetraanion
  • oxepin-CoA(4-)
  • CHEBI:63252
  • 2-oxepin-2(3H)-ylideneacetyl-CoA
  • 2-oxepin-2(3H)-ylideneacetyl-CoA(4-)
  • 2-oxepin-2(3H)-ylideneacetyl-CoA tetraanion
  • Q27132519