Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Spectinomycin Hydrochloride

Spectinomycin Hydrochloride synonyms

Spectinomycin Hydrochloride


Graphical representations:

Spectinomycin Hydrochloride image

View large 3D structure

Molecular Formula: C14H24N2O7

Natural Isotopic Abundance Mass: 332.34956

Mono-Isotopic Molecular Masses:

  • C12N14: 332.158351118001
  • C13N14: 346.205318850001
  • C12N15: 334.152420904001
  • C13N15: 348.199388636001

InChI String: InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1


PubChem Substance (SID):   n/a
PubChem Compound (CID):   15541
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   SCM
Miscellaneous Databases and IDs:   MMCD cq_01316

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,