Itaconoyl CoA

Base Information

• Chemical Name: Itaconoyl CoA
• CAS No.: 6008-93-1
• Molecular Formula: C26H40N7O19P3S
• Molecular Weight: 0
• Nikkaji Number: J2.729.652A
• Mol file: 6008-93-1.mol

Synonyms:Itaconoyl coenzyme A;Itaconoyl CoA;S-itaconate CoA;S-itaconate Coenzyme A;S-3-methylenesuccinate CoA;S-3-methylenesuccinate Coenzyme A;S-(1-hydrogen methylenesuccinate) CoA;Itaconyl-CoA;(Acyl-CoA);[M+H]+;S-(1-hydrogen methylenesuccinate) Coenzyme A

Chemical Property of Itaconoyl CoA

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: -5.6
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 23
• Exact Mass: 879.13125424
• Heavy Atom Count: 56
• Complexity: 1590

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=C)C(=O)O)O
• Isomeric 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(=C)C(=O)O)O