DG6

2-DEOXY-GLUCITOL-6-PHOSPHATE

Created:	2001-07-19
Last modified:	2011-06-04

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1 entries where DG6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	3
Bond Count	29
Aromatic Bond Count	0

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Chemical Component Summary
Name	2-DEOXY-GLUCITOL-6-PHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(3S,4R)-2,3,4,6-tetrahydroxyhexyl] dihydrogen phosphate
Formula	C₆ H₁₅ O₈ P
Molecular Weight	246.152
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(O)C(O)C(O)CCO
SMILES	CACTVS	3.341	OCC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(CO)C(C(C(COP(=O)(O)O)O)O)O
Canonical SMILES	CACTVS	3.341	OCC[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CO)[C@H]([C@@H](C(COP(=O)(O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H15O8P/c7-2-1-4(8)6(10)5(9)3-14-15(11,12)13/h4-10H,1-3H2,(H2,11,12,13)/t4-,5-,6+/m1/s1
InChIKey	InChI	1.03	KLPBNGZTTQNYHR-PBXRRBTRSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB04516
Name	2-Deoxy-Glucitol-6-Phosphate
Groups	experimental
Synonyms	2-Deoxy-Glucitol-6-Phosphate

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Inositol-3-phosphate synthase 1	MEAAAQFFVESPDVVYGPEAIEAQYEYRTTRVSREGGVLKVHPTSTRFTF...	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