TP7

Coenzyme B

Created:	1999-07-08
Last modified:	2021-03-01

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31 entries where TP7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	0

2D diagram of TP7

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Chemical Component Summary
Name	Coenzyme B
Synonyms	7-MERCAPTOHEPTANOYLTHREONINEPHOSPHATE
Systematic Name (OpenEye OEToolkits)	(2S,3R)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid
Formula	C₁₁ H₂₂ N O₇ P S
Molecular Weight	343.334
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCCCS)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(C(C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O
Canonical SMILES	CACTVS	3.385	C[C@@H](O[P](O)(O)=O)[C@H](NC(=O)CCCCCCS)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t8-,10+/m1/s1
InChIKey	InChI	1.03	JBJSVEVEEGOEBZ-SCZZXKLOSA-N

Related Resource References

Resource Name	Reference
PubChem	5462265
ChEBI	CHEBI:28890

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