Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Tuftsin Acetate Salt Hydrate

Tuftsin Acetate Salt Hydrate synonyms

Tuftsin acetate salt hydrate


Graphical representations:

Tuftsin acetate salt hydrate image

View large 3D structure

Molecular Formula: C21H40N8O6

Natural Isotopic Abundance Mass: 500.5923

Mono-Isotopic Molecular Masses:

  • C12N14: 500.307081040001
  • C13N14: 521.377532638001
  • C12N15: 508.283360184001
  • C13N15: 529.353811782001

InChI String: InChI=1S/C21H40N8O6/c1-12(30)16(23)18(32)27-13(6-2-3-9-22)19(33)29-11-5-8-15(29)17(31)28-14(20(34)35)7-4-10-26-21(24)25/h12-16,30H,2-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13+,14+,15+,16+/m1/s1


PubChem Substance (SID):   n/a
PubChem Compound (CID):   156080
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_17682

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,