EPE

4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID

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is present as a standalone ligand in 1,497 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 5 entries

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Chemical Component Summary
Name	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Synonyms	HEPES
Identifiers	2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
Formula	C₈ H₁₈ N₂ O₄ S
Molecular Weight	238.305
Type	NON-POLYMER
Isomeric SMILES	C1CN(CCN1CCO)CCS(=O)(=O)O
InChI	InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKey	JKMHFZQWWAIEOD-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB16872
Name	HEPES
Groups	investigational
Synonyms	4-(2-Hydroxyethyl)-1-piperazineethane sulfonic acid 4-(2-Hydroxyethyl)-1-piperazineethane sulphonic acid HEPES
Categories	Alkanes Alkanesulfonic Acids Buffers Compounds used in a research, industrial, or household setting Hydrocarbons, Acyclic Laboratory Chemicals Piperazines Sulfonic Acids Sulfur Acids Sulfur Compounds
CAS number	7365-45-9

Related Resource References

Resource Name	Reference
PubChem	23831, 23830, 3275884
ChEMBL	CHEMBL1232545
ChEBI	CHEBI:46755, CHEBI:42334
CCDC/CSD	WIRMOZ01
COD	2204073

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.