(+)-Biotin
Biotin synonyms
Graphical representations:
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: 256.1157812447
InChI string: InChI=1S/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
IUPAC: 5-[(1R,5S,6S)-3-oxo-7-thia-2,4-diazabicyclo[3.3.0]oct-6-yl]pentanoic acid
PubChem Compound (CID): 171548KEGG Compound ID: C00120
CAS Registry number: 56846-45-8
ChEBI: 15956
PDB Compound ID: BTN BTQ
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)