TYS

O-SULFO-L-TYROSINE

Created:	1999-07-08
Last modified:	2024-09-27

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1 entries where TYS is found as a standalone ligand340 entries where TYS 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 TYS

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Chemical Component Summary
Name	O-SULFO-L-TYROSINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-3-(4-sulfooxyphenyl)propanoic acid
Formula	C₉ H₁₁ N O₆ S
Molecular Weight	261.252
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)Cc1ccc(OS(=O)(=O)O)cc1
SMILES	CACTVS	3.370	N[CH](Cc1ccc(O[S](O)(=O)=O)cc1)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1CC(C(=O)O)N)OS(=O)(=O)O
Canonical SMILES	CACTVS	3.370	N[C@@H](Cc1ccc(O[S](O)(=O)=O)cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1
InChIKey	InChI	1.03	CIQHWLTYGMYQQR-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	514186
ChEBI	CHEBI:46215

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