DEZ

4-PHOSPHO-D-ERYTHRONATE

Created: 2004-11-30
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count2
Bond Count21
Aromatic Bond Count0
2D diagram of DEZ
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Chemical Component Summary

Name4-PHOSPHO-D-ERYTHRONATE
Systematic Name (OpenEye OEToolkits)(2R,3R)-2,3-dihydroxy-4-phosphonooxy-butanoic acid
FormulaC4 H9 O8 P
Molecular Weight216.083
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(O)(O)OCC(O)C(O)C(=O)O
SMILESCACTVS3.341O[CH](CO[P](O)(O)=O)[CH](O)C(O)=O
SMILESOpenEye OEToolkits1.5.0C(C(C(C(=O)O)O)O)OP(=O)(O)O
Canonical SMILESCACTVS3.341 O[C@H](CO[P](O)(O)=O)[C@@H](O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3-/m1/s1
InChIKeyInChI1.03 ZCZXOHUILRHRQJ-PWNYCUMCSA-N

Drug Info: DrugBank

DrugBank IDDB03108 
Name4-phospho-D-erythronic acid
Groups experimental
Synonyms
  • 4-Phospho-D-Erythronate
  • 4-Phosphoerythronate
  • 4-phospho-D-erythronic acid
Categories
  • Acids, Acyclic
  • Carbohydrates
  • Hydroxy Acids

Drug Targets

NameTarget SequencePharmacological ActionActions
6-phosphogluconate dehydrogenase, decarboxylatingMAQADIALIGLAVMGQNLILNMNDHGFVVCAFNRTVSKVDDFLANEAKGT...unknowninhibitor
Ribose-5-phosphate isomerase BMSGMRVYLGADHAGYELKQRIIEHLKQTGHEPIDCGALRYDADDDYPAFC...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

Related Resource References

Resource NameReference
Pharos CHEMBL1160945
PubChem 449304
ChEMBL CHEMBL1160945
ChEBI CHEBI:49003