Primary Record
2-Octynoyl CoA
- In stock
- 4,592 g
- Purity
- 98.2 %
- CAS
- 96448-59-8
Compound Identifiers & Properties
- CAS
- 96448-59-8
- PubChem CID
- 102331172
- SMILES
- CCCCCC#CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O
- Canonical SMILES
- CCCCCC#CC(=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
Names & Synonyms
- 2-Octynoyl CoA
- S-(2-Octynyl)coenzyme A
- orb3022218
- J898.204J
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-[(2-{[2-(oct-2-ynoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- 96448-59-8
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-(2-octynylthio)ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-[[1-oxo-2-octyn-1-yl]thio]ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-[[1-oxo-2-octyne-1-yl]thio]ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester