Primary Record
3-Oxopropionyl-CoA
- In stock
- 9,745 g
- Purity
- 98.7 %
- CAS
- 6244-93-5
Compound Identifiers & Properties
- CAS
- 6244-93-5
- PubChem CID
- 440865
- 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(C(=O)NCCC(=O)NCCSC(=O)CC=O)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(O)C(=O)NCCC(=O)NCCSC(=O)CC=O
Names & Synonyms
- 3-Oxopropionyl-CoA
- Malonyl-CoA semialdehyde
- 3-oxopropanoyl-CoA
- S-(3-oxopropanoate
- Malonylsemialdehyde-CoA
- Malonyl semialdehyde-CoA
- S-(3-oxopropanoic acid
- S-(3-oxopropanoate)CoA
- 3-Oxopropionyl-coenzyme A
- AC1L9A2V
- Malonylsemialdehyde coenzyme A
- Malonylsemialdehyde-Coenzyme A
- S-(3-oxopropanoate)Coenzyme A
- SCHEMBL27918041
- CHEBI:177266
- CID440865
- LMFA07050347
- 3-Oxopropionyl-CoA; (Acyl-CoA); [M+H]+;
- J2.760.831K
- C05989
- 1-Thiomalonaldehydic acid S-ester with coenzyme A
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxopropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-oxopropanethioate
- 6244-93-5
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3-oxopropionylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester