6PG

6-PHOSPHOGLUCONIC ACID

Created:	1999-07-08
Last modified:	2011-06-04

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16 entries where 6PG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	4
Bond Count	29
Aromatic Bond Count	0

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Chemical Component Summary
Name	6-PHOSPHOGLUCONIC ACID
Systematic Name (OpenEye OEToolkits)	(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexanoic acid
Formula	C₆ H₁₃ O₁₀ P
Molecular Weight	276.135
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)C(=O)O
SMILES	CACTVS	3.341	O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1
InChIKey	InChI	1.03	BIRSGZKFKXLSJQ-SQOUGZDYSA-N

Drug Info: DrugBank

DrugBank ID	DB02076
Name	6-phospho-D-gluconic acid
Groups	experimental
Synonyms	6-phospho-D-gluconic acid
Categories	Acids, Acyclic Carbohydrates Hydroxy Acids Sugar Acids
CAS number	921-62-0

Drug Targets

Name	Target Sequence	Pharmacological Action
6-phosphogluconate dehydrogenase, decarboxylating	MAQADIALIGLAVMGQNLILNMNDHGFVVCAFNRTVSKVDDFLANEAKGT...	unknown
Glucose-6-phosphate isomerase	MAALTRDPQFQKLQQWYREHRSELNLRRLFDANKDRFNHFSLTLNTNHGH...	unknown
Thermoresistant gluconokinase	MSTTNHDHHIYVLMGVSGSGKSAVASEVAHQLHAAFLDGDFLHPRRNIEK...	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