A1ASZ

5-sulfanyl-L-histidine

Created:	2024-05-23
Last modified:	2025-01-08

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1 entries where A1ASZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	1
Bond Count	21
Aromatic Bond Count	5

2D diagram of A1ASZ

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Chemical Component Summary
Name	5-sulfanyl-L-histidine
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-3-(5-sulfanyl-1~{H}-imidazol-4-yl)propanoic acid
Formula	C₆ H₉ N₃ O₂ S
Molecular Weight	187.22
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Sc1[NH]cnc1CC(N)C(=O)O
SMILES	CACTVS	3.385	N[CH](Cc1nc[nH]c1S)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1[nH]c(c(n1)CC(C(=O)O)N)S
Canonical SMILES	CACTVS	3.385	N[C@H](Cc1nc[nH]c1S)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1[nH]c(c(n1)C[C@@H](C(=O)O)N)S
InChI	InChI	1.06	InChI=1S/C6H9N3O2S/c7-3(6(10)11)1-4-5(12)9-2-8-4/h2-3,12H,1,7H2,(H,8,9)(H,10,11)/t3-/m0/s1
InChIKey	InChI	1.06	WBSBVAGWUGLYEZ-VKHMYHEASA-N

Related Resource References

Resource Name	Reference
PubChem	90658849, 90658848

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.