BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Alpha-D (+) Melibiose

Graphical representations:

alpha-D (+) Melibiose image

Molecular Formula: C12 H22 O11

Natural Isotopic Abundance Mass: 342.2964800000

Mono-Isotopic Molecular Masses:

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

InCHi String:

Isomeric SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O)O

Canonical SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O

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

IUPAC traditional
(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol

IUPAC cas: IUPAC openeye
(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol

PubChem Substance (SID):   154763   7769
PubChem Compound (CID):   11458
KEGG: Compound ID   C05402
CAS Registry IDs:   585-99-9
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 28053   NSC 2028   EINECS 209-568-6

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.