BMA

beta-D-mannopyranose

Created:	1999-07-08
Last modified:	2024-09-27

Find Related PDB Entry
117 entries where BMA is found as a standalone ligand27 entries where BMA is covalently linked to polymer or other heterogen groups 4,302 entries where BMA is found in a branched oligosaccharide

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	5
Bond Count	24
Aromatic Bond Count	0

2D diagram of BMA

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	beta-D-mannopyranose
Synonyms	beta-D-mannose; D-mannose; mannose
Systematic Name (OpenEye OEToolkits)	(2R,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Formula	C₆ H₁₂ O₆
Molecular Weight	180.156
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1C(O)C(OC(O)C1O)CO
SMILES	CACTVS	3.341	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C(C1C(C(C(C(O1)O)O)O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKey	InChI	1.03	WQZGKKKJIJFFOK-RWOPYEJCSA-N

Related Resource References

Resource Name	Reference
PubChem	439680
ChEBI	CHEBI:80962, CHEBI:27857, CHEBI:28563, CHEBI:59573
COD	7224889, 7224888, 7224887, 7224886, 7224880, 7224883, 7224885, 7224881, 7224879, 7224882, 7224884

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.