PAN

5-PHOSPHO-D-ARABINOHYDROXAMIC ACID

Created: 2002-01-02
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count3
Bond Count27
Aromatic Bond Count0
2D diagram of PAN

Chemical Component Summary

Name5-PHOSPHO-D-ARABINOHYDROXAMIC ACID
Systematic Name (OpenEye OEToolkits)[(2R,3R,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxo-pentyl] dihydrogen phosphate
FormulaC5 H12 N O9 P
Molecular Weight261.124
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(O)(O)OCC(O)C(O)C(O)C(=O)NO
SMILESCACTVS3.341ONC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILESOpenEye OEToolkits1.5.0C(C(C(C(C(=O)NO)O)O)O)OP(=O)(O)O
Canonical SMILESCACTVS3.341 ONC(=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3-,4+/m1/s1
InChIKeyInChI1.03 OHQFMJPEBPCIEQ-JJYYJPOSSA-N

Drug Info: DrugBank

DrugBank IDDB02093 
Name5-phospho-D-arabinohydroxamic acid
Groups experimental
Synonyms
  • 5-phospho-D-arabinohydroxamic acid
  • (2R,3R,4S)-2,3,4-Trihydroxy-5-(hydroxyamino)-5-oxopentyl dihydrogen phosphate

Drug Targets

NameTarget SequencePharmacological ActionActions
Glucose-6-phosphate isomeraseMAALTRDPQFQKLQQWYREHRSELNLRRLFDANKDRFNHFSLTLNTNHGH...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
PubChem 446761
ChEMBL CHEMBL1235136