BMRB

Biological Magnetic Resonance Data Bank


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

(+)-Biotin

Biotin synonyms

D-Biotin; Vitamin H; 58-85-5; Coenzyme R; 3H-Biotin; Biotin

Wikipedia:

Graphical representations:

biotin

View large 3D structure

Molecular Formula: C10H16N2O3S

Natural Isotopic Abundance Mass: 244.3106400000

Mono-Isotopic Molecular Masses:

  • C12N14: 244.08816308
  • C13N14: 254.121711458
  • C12N15: 246.082232867
  • C13N15: 254.121711458

InChI string: InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1/f/h11-13H

IUPAC: 5-[(1R,5S,6S)-3-oxo-7-thia-2,4-diazabicyclo[3.3.0]oct-6-yl]pentanoic acid

PubChem Compound (CID): 171548
KEGG Compound ID: C00120
CAS Registry number: 56846-45-8
ChEBI: 15956

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)