GYP

methyl alpha-D-glucopyranoside

Created:	2003-03-06
Last modified:	2020-07-17

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11 entries where GYP is found as a standalone ligand1 entries where GYP is found in a branched oligosaccharide

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	5
Bond Count	27
Aromatic Bond Count	0

2D diagram of GYP

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Chemical Component Summary
Name	methyl alpha-D-glucopyranoside
Synonyms	METHYL-ALPHA-D-GLUCOPYRANOSIDE; ALPHA-METHYL-D-GLUCOPYRANOSIDE; methyl alpha-D-glucoside; methyl D-glucoside; methyl glucoside
Systematic Name (OpenEye OEToolkits)	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol
Formula	C₇ H₁₄ O₆
Molecular Weight	194.182
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1C(O)C(O)C(OC1OC)CO
SMILES	CACTVS	3.341	CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	COC1C(C(C(C(O1)CO)O)O)O
Canonical SMILES	CACTVS	3.341	CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1
InChIKey	InChI	1.03	HOVAGTYPODGVJG-ZFYZTMLRSA-N

Related Resource References

Resource Name	Reference
PubChem	64947
ChEMBL	CHEMBL131853
ChEBI	CHEBI:320061
CCDC/CSD	MGLUCP11, IRAMOG

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