3PG

3-PHOSPHOGLYCERIC ACID

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

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77 entries where 3PG is found as a standalone ligand2 entries where 3PG is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	1
Bond Count	17
Aromatic Bond Count	0

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Chemical Component Summary
Name	3-PHOSPHOGLYCERIC ACID
Systematic Name (OpenEye OEToolkits)	(2R)-2-hydroxy-3-phosphonooxy-propanoic acid
Formula	C₃ H₇ O₇ P
Molecular Weight	186.057
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(O)C(=O)O
SMILES	CACTVS	3.341	O[CH](CO[P](O)(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(=O)O)O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	O[C@H](CO[P](O)(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@H](C(=O)O)O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChIKey	InChI	1.03	OSJPPGNTCRNQQC-UWTATZPHSA-N

Drug Info: DrugBank

DrugBank ID	DB04510
Name	3-phospho-D-glyceric acid
Groups	experimental
Synonyms	3-Phospho-(R)-glycerate 3-phospho-D-glycerate D-glycerate 3-phosphate 3-Phosphoglycerate 3-phospho-D-glyceric acid
Categories	Acids, Acyclic Carbohydrates Hydroxy Acids Sugar Acids
CAS number	820-11-1

Drug Targets

Name	Target Sequence	Pharmacological Action
Triosephosphate isomerase	MARKYFVAANWKCNGTLESIKSLTNSFNNLDFDPSKLDVVVFPVSVHYDH...	unknown
2,3-bisphosphoglycerate-independent phosphoglycerate mutase	MSKKPVALIILDGFALRDETYGNAVAQANKPNFDRYWNEYPHTTLKACGE...	unknown
Phosphoglycerate mutase 2	MATHRLVMVRHGESTWNQENRFCGWFDAELSEKGTEEAKRGAKAIKDAKM...	unknown
Triosephosphate isomerase	MAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNW...	unknown
Phosphoglycerate kinase 1	MSLSNKLTLDKLDVKGKRVVMRVDFNVPMKNNQITNNQRIKAAVPSIKFC...	unknown
Bifunctional PGK/TIM	MEKMTIRDVDLKGKRVIMRVDFNVPVKDGVVQDDTRIRAALPTIKYALEQ...	unknown
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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