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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2-Nitrophenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside

2-Nitrophenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside synonyms

Wikipedia:

Graphical representations:

2-Nitrophenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside image

View large 3D structure

Molecular Formula: C14H18N2O8

Natural Isotopic Abundance Mass: 342.30132

Mono-Isotopic Molecular Masses:

  • C12N14: 342.106315546
  • C13N14: 356.153283278
  • C12N15: 344.100385332
  • C13N15: 358.147353064

InChI String: InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-5-3-2-4-8(9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14+/m1/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   112084
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