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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2-alpha-Mannobiose

Graphical representations:

2-alpha-Mannobiose image

Molecular Formula: C12 H22 O11

Natural Isotopic Abundance Mass: 342.29648

Mono-Isotopic Molecular Masses:

  • C12N14: 342.1162115493
  • C13N14: 354.1564696029
  • C12N15: 342.1162115493
  • C13N15: 354.1564696029

InCHi String:

canonical SMILES: C(C1C(C(C(C(O1)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O

isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)O)O)O)O

PUBCHEM iupac NAME
(3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol

PUBCHEM iupac TRADITIONAL NAME
(3S,4S,5S,6R)-6-methylol-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2,4,5-triol

PUBCHEM iupac OPENEYE NAME
(3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,4,5-triol

PUBCHEM iupac CAS NAME
(3S,4S,5S,6R)-6-(hydroxymethyl)-3-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]oxane-2,4,5-triol

PUBCHEM iupac SYSTEMATIC NAME
(3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-2,4,5-triol

PubChem Substance (SID):   144080911   24896585   85752775
PubChem Compound (CID):   11099946
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 15548-39-7   MDL number MFCD01310887   MMCD cq_01111   Sigma-Aldrich M1050_SIGMA   ChEBI CHEBI:59584

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.