BMRB

Biological Magnetic Resonance Data Bank


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

LDCast

LDCast synonyms

Wikipedia:

Graphical representations:

LDCast image

View large 3D structure

Molecular Formula: C8H15NO4

Natural Isotopic Abundance Mass: 189.209

Mono-Isotopic Molecular Masses:

  • C12N14: 189.100107965
  • C13N14: 197.126946669
  • C12N15: 190.097142858
  • C13N15: 198.123981562

InChI String: InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6-,7-,8-/m0/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   451988
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