BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Guaiacol Glyceryl Ether Carbamate

Graphical representations:

Guaiacol glyceryl ether carbamate image

View large 3D structure

Molecular Formula: C11H15NO5

Natural Isotopic Abundance Mass: 241.2405

Mono-Isotopic Molecular Masses:

  • C12N14: 241.095022585
  • C13N14: 252.131925803
  • C12N15: 242.092057478
  • C13N15: 253.128960696

InChI String: InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)/t8-/m0/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   4107
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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