bmse001175 Tuftsin Acetate Salt Hydrate at BMRB

Tuftsin Acetate Salt Hydrate

Tuftsin Acetate Salt Hydrate bmse001175 - Data

Tuftsin Acetate Salt Hydrate synonyms

Graphical representations:

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

MMCD: cq_17682
PubChem Compound (CID): 156080

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)