S6P

D-SORBITOL-6-PHOSPHATE

Created:	2004-10-28
Last modified:	2020-05-27

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20 entries where S6P is found as a standalone ligand1 entries where S6P is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	4
Bond Count	30
Aromatic Bond Count	0

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Chemical Component Summary
Name	D-SORBITOL-6-PHOSPHATE
Synonyms	1-O-PHOSPHONO-D-GLUCITOL; D-GLUCITOL-6-PHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] dihydrogen phosphate
Formula	C₆ H₁₅ O₉ P
Molecular Weight	262.152
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(O)C(O)C(O)C(O)CO
SMILES	CACTVS	3.341	OC[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
InChIKey	InChI	1.03	GACTWZZMVMUKNG-SLPGGIOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02548
Name	D-glucitol 6-phosphate
Groups	experimental
Synonyms	Sorbitol-6-phosphate Sorbitol 6-phosphate D-Sorbitol 6-phosphate D-glucitol 6-phosphate D-Glucitol, 6-(dihydrogen phosphate) D-sorbitol-6-phosphate
Categories	Carbohydrates Sugar Phosphates
CAS number	20479-58-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glucose-6-phosphate isomerase	MAALTRDPQFQKLQQWYREHRSELNLRRLFDANKDRFNHFSLTLNTNHGH...	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