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Biological Magnetic Resonance Data Bank


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

Puromycin Dihydrochloride From Streptomyces Alboniger

Puromycin Dihydrochloride From Streptomyces Alboniger bmse001126 - Data

Puromycin Dihydrochloride From Streptomyces Alboniger synonyms

Wikipedia:

Graphical representations:

Puromycin

View large 3D structure

Molecular Formula: C22H31Cl2N7O5

Natural Isotopic Abundance Mass: 544.431439999998

Mono-Isotopic Molecular Masses:

  • C12N14: 543.176372487001
  • C13N14: 565.250178923001
  • C12N15: 550.155616738001
  • C13N15: 572.229423174001

InChI string: InChI=1S/C22H29N7O5.2ClH/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12;;/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32);2*1H/t14-,15+,16+,18+,22+;;/m0../s1

MMCD: cq_01050
PubChem Compound (CID): 443311

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)