PRD_900115

4beta-beta-mannobiose

PRD_900115 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1QNR.

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Chemical Component Summary
Name	4beta-beta-mannobiose
Identifiers	(2R,3S,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-2,3,4-trio l
Formula	C₁₂ H₂₂ O₁₁
Molecular Weight	342.296
Type	SACCHARIDE
Isomeric SMILES	C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)O)O)CO)O)O)O)O
InChI	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+ ,10-,11-,12+/m1/s1
InChIKey	GUBGYTABKSRVRQ-PZPXDAEZSA-N
Composition	Polymer Sequences: BMA-BMA
BIRD class	METABOLISM
Represented As	BRANCHED
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	10
Bond Count	46
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB01687
Name	beta-Mannobiose
Groups	experimental
Synonyms	4-O-β-D-mannopyranosyl-β-D-mannopyranose β-mannobiose beta-Mannobiose

Related Resource References

Resource Name	Reference
PubChem	448165
ChEBI	CHEBI:28085

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.