31Q

(4-carboxyphenyl)(L-cysteinato-kappaS~3~)mercury

Created:	2014-05-22
Last modified:	2024-09-27

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1 entries where 31Q is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	6

2D diagram of 31Q

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Chemical Component Summary
Name	(4-carboxyphenyl)(L-cysteinato-kappaS~3~)mercury
Systematic Name (OpenEye OEToolkits)	[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-(4-carboxyphenyl)mercury
Formula	C₁₀ H₁₁ Hg N O₄ S
Molecular Weight	441.854
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)CS[Hg]c1ccc(C(=O)O)cc1
SMILES	CACTVS	3.385	N[CH](CS[Hg]c1ccc(cc1)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C(=O)O)[Hg]SCC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	N[C@@H](CS[Hg]c1ccc(cc1)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C(=O)O)[Hg]SC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C7H5O2.C3H7NO2S.Hg/c8-7(9)6-4-2-1-3-5-6;4-2(1-7)3(5)6;/h2-5H,(H,8,9);2,7H,1,4H2,(H,5,6);/q;;+1/p-1/t;2-;/m.0./s1
InChIKey	InChI	1.03	YZXURPRJXJLGTJ-TYOUJGAFSA-M

Related Resource References

Resource Name	Reference
PubChem	137348117

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