D-Trehalose

D-Trehalose bmse000125 - Data bmse000815 - Data bmse000876 - Data

D_trehalose synonyms

alpha-D-Glucopyranoside, alpha-D-glucopyranosyl; TREHALOSE, DIHYDRATE; alpha-D-Trehalose; Mycose; Trehalose; Ergot sugar; alpha,alpha-Trehalose; alpha,alpha'-Trehalose; TREHALOSE; Natural trehalose

Wikipedia:

Graphical representations:

D_trehalose

View large 3D structure

Molecular Formula: C12H22O11

Natural Isotopic Abundance Mass: 342.2964800000

Mono-Isotopic Molecular Masses:

  • C12N14: 342.116211549
  • C13N14: 354.156469603
  • C12N15: 342.116211549
  • C13N15: 354.156469603

InChI string: InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1

IUPAC: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-3,4,5-triol

PubChem Compound (CID): 7427
KEGG Compound ID: C01083
CAS Registry number: 99-20-7
ChEBI: 16551
NSC: 2093
EINECS: 202-739-6
PDB Compound ID: TRE

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)