Lacto-N-fucopentaitolI

Lacto-N-fucopentaitolI bmse001328 - Data

Lacto-N-fucopentaitolI synonyms

Wikipedia:

Graphical representations:

Lacto-N-fucopentaitolI

View large 3D structure

Molecular Formula: C32H55NO25

Natural Isotopic Abundance Mass: 853.7708

Mono-Isotopic Molecular Masses:

  • C12N14: 853.306316265
  • C13N14: 885.413671081
  • C12N15: 854.303351158
  • C13N15: 886.410705974

InChI string: InChI=1S/C32H55NO25/c1-7-14(39)18(43)22(47)30(50-7)58-27-19(44)15(40)9(3-34)54-32(27)56-25-13(33-8(2)38)29(52-10(4-35)16(25)41)57-26-17(42)11(5-36)53-31(23(26)48)55-24-12(6-37)51-28(49)21(46)20(24)45/h7,9-32,34-37,39-49H,3-6H2,1-2H3,(H,33,38)/t7-,9+,10+,11+,12+,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-,23+,24+,25+,26-,27+,28-,29-,30-,31-,32-/m0/s1

PubChem Compound (CID): 50909802

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)