Maleyl-coenzyme A

Base Information

• Chemical Name: Maleyl-coenzyme A
• CAS No.: 54377-18-3
• Molecular Formula: C25H38 N7 O19 P3 S
• Molecular Weight: 865.59
• DSSTox Substance ID: DTXSID401346758
• Mol file: 54377-18-3.mol

Synonyms:coenzyme A, maleyl-;maleyl-CoA;maleyl-coenzyme A

Chemical Property of Maleyl-coenzyme A

Chemical Property:

• PSA: 0.00000
• Density: 1.91g/cm³
• LogP: 0.00000
• XLogP3: -5.8
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 22
• Exact Mass: 865.11560417
• Heavy Atom Count: 55
• Complexity: 1560

Purity/Quality:

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)C=CC(=O)O)O
• Isomeric 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)/C=C\C(=O)O)O