Primary Record
1,4-BNC-CoA
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 90658772
- SMILES
- C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)([O-])[O-])O
- Canonical SMILES
- C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
Names & Synonyms
- 1,4-BNC-CoA
- 1,4-BNC-CoA(4-)
- CHEBI:83793
- 3-oxochola-1,4-dien-22-oyl-CoA
- 3-one-23,24-bisnorchol-1,4-dien-22-yl-CoA
- 3-oxo-23,24-bisnorchol-1,4-dien-22-yl-CoA
- 3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-CoA(4-)
- Q27157228
- 3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-coenzyme A(4-)