Biological Magnetic Resonance Data Bank

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


Graphical representations:


View large 3D structure

Molecular Formula: C19H29NO

Natural Isotopic Abundance Mass: 287.43966

Mono-Isotopic Molecular Masses:

  • C12N14: 287.2249145582
  • C13N14: 306.2886564764
  • C12N15: 288.2219494514
  • C13N15: 307.2856913696

InChI string: InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2/t19-/m1/s1

PubChem Compound (CID): 4919
CAS Registry number: 77-37-2
MMCD: cq_04370
CAS Registry number: 56172-67-9 77-37-2 107661-03-0
EINECS: 201-023-0
KEGG Compound ID: C07378
Beilstein Handbook Reference: 5-20-01-00250
ChemIDplus: 000077372
NIST Chemistry WebBook: 264206997
NIST: 264206997

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,