BEM

beta-D-mannopyranuronic acid

Created:	2007-11-05
Last modified:	2020-07-17

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1 entries where BEM is found as a standalone ligand63 entries where BEM is found in a branched oligosaccharide

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	5
Bond Count	23
Aromatic Bond Count	0

2D diagram of BEM

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Chemical Component Summary
Name	beta-D-mannopyranuronic acid
Synonyms	beta-D-mannuronic acid; D-mannuronic acid; mannuronic acid; (2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Formula	C₆ H₁₀ O₇
Molecular Weight	194.139
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C1OC(O)C(O)C(O)C1O
SMILES	CACTVS	3.341	O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C1(C(C(OC(C1O)O)C(=O)O)O)O
Canonical SMILES	CACTVS	3.341	O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	[C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4-,6+/m0/s1
InChIKey	InChI	1.03	AEMOLEFTQBMNLQ-SYJWYVCOSA-N

Related Resource References

Resource Name	Reference
PubChem	446145
ChEBI	CHEBI:468

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