BG6

6-O-phosphono-beta-D-glucopyranose

Created:	2000-08-29
Last modified:	2020-07-17

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44 entries where BG6 is found as a standalone ligand4 entries where BG6 is found in a branched oligosaccharide

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	5
Bond Count	29
Aromatic Bond Count	0

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Chemical Component Summary
Name	6-O-phosphono-beta-D-glucopyranose
Synonyms	BETA-D-GLUCOSE-6-PHOSPHATE; 6-O-phosphono-beta-D-glucose; 6-O-phosphono-D-glucose; 6-O-phosphono-glucose
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
Formula	C₆ H₁₃ O₉ P
Molecular Weight	260.136
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
SMILES	CACTVS	3.341	O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	O[C@@H]1O[C@H](CO[P](O)(O)=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)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
InChIKey	InChI	1.03	NBSCHQHZLSJFNQ-VFUOTHLCSA-N

Drug Info: DrugBank

DrugBank ID	DB04122
Name	beta-D-glucose 6-phosphate
Groups	experimental
Synonyms	6-H2PO3Glcβ 6-O-phosphono-β-D-glucopyranose β-D-glucose 6-phosphate beta-D-glucose 6-(dihydrogen phosphate) beta-D-Glucose 6-phosphic acid beta-D-glucose 6-phosphate beta-D-glucose-6-phosphate
CAS number	15209-12-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glucose-6-phosphate 1-dehydrogenase	MVSEIKTLVTFFGGTGDLAKRKLYPSVFNLYKKGYLQKHFAIVGTARQAL...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682