Chemical Compound

crotonobetainyl-CoA

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crotonobetainyl-CoA chemical structure
Primary Record

crotonobetainyl-CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
49852356
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/C[N+](C)(C)C)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=C/C[N+](C)(C)C

Names & Synonyms

  • crotonobetainyl-CoA
  • crotonobetainyl-CoA(3-)
  • crotonobetainyl-CoA trianion
  • crotonobetainyl-coenzyme A(3-)
  • CHEBI:60933
  • crotonobetainyl-coenzyme A trianion
  • (E)-4-(trimethylammonio)but-2-enoyl-CoA
  • (E)-4-(trimethylammonio)but-2-enoyl-CoA(3-)
  • (E)-4-(trimethylammonio)but-2-enoyl-CoA trianion
  • Q27130080