BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

HEPES - Supplemental Proton Data

Graphical representations:

HEPES

View large 3D structure

Molecular Formula: C8H18N2O4S

Natural Isotopic Abundance Mass: 238.3045200000

Mono-Isotopic Molecular Masses:

  • C12N14: 238.098727767
  • C13N14: 246.125566469
  • C12N15: 240.092797553
  • C13N15: 248.1196362554

InChI string: 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)

IUPAC: 2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate

PubChem Compound (CID): 23830
CAS Registry number: 7365-45-9 75277-39-3
EINECS: 230-907-9
Beilstein Handbook Reference: 5-23-02-00379
NSC: 166663
PDB Compound ID: EPE

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)