MAN

alpha-D-mannopyranose

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

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259 entries where MAN is found as a standalone ligand265 entries where MAN is covalently linked to polymer or other heterogen groups 3,569 entries where MAN is found in a branched oligosaccharide

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

2D diagram of MAN

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

Related Resource References

Resource Name	Reference
PubChem	185698
ChEMBL	CHEMBL365590
ChEBI	CHEBI:28729
CCDC/CSD	ADMANN, ADMANN20, ADMANN18, ADMANN16, ADMANN17, ADMANN05, ADMANN19, ADMANN11, ADMANN10, ADMANN09, ADMANN08, ADMANN12, ADMANN13, ADMANN07, ADMANN14, ADMANN01, ADMANN04, ADMANN03, ADMANN15, ADMANN02, ADMANN06

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.