Primary Record
CHEBI:86020
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 91825732
- SMILES
- C/C(=C/1\CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[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(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-])=C1\CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Names & Synonyms
- CHEBI:86020
- 3-oxochola-4,17-dien-22-oyl-CoA
- 20-methyl-3-oxopregna-4,17-dien-21-oyl-CoA(4-)
- 3-keto-20-methylpregna-4,17-dien-21-oyl-CoA(4-)
- 20-methyl-3-oxopregna-4,17-dien-21-oyl-coenzyme A(4-)
- 3-keto-20-methylpregna-4,17-dien-21-oyl-coenzyme A(4-)