coenzyme B

Base Information

• Chemical Name: coenzyme B
• CAS No.: 107022-00-4
• Molecular Formula: C11H22NO7PS
• UNII: 9GS022ISQL
• Nikkaji Number: J372.864A
• Wikipedia: Coenzyme_B
• Wikidata: Q579645
• Metabolomics Workbench ID: 51881
• Mol file: 107022-00-4.mol

Synonyms:7-mercaptoheptanoyl-O-phospho-L-threonine;7-mercaptoheptanoylthreonine phosphate;7-thioheptanoyl-threonine O-phosphate;coenzyme B;MHTP

Chemical Property of coenzyme B

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 343.08546021
• Heavy Atom Count: 21
• Complexity: 387

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(C(C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O
• Isomeric SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O

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