H4P

1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-L-THREO-HEXITOL

Created: 2003-05-19
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count4
Bond Count39
Aromatic Bond Count0
2D diagram of H4P
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Chemical Component Summary

Name1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-L-THREO-HEXITOL
Systematic Name (OpenEye OEToolkits)[[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl]amino]methylphosphonic acid
FormulaC7 H19 N O11 P2
Molecular Weight355.173
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(O)(O)OCC(O)C(O)C(O)C(O)CNCP(=O)(O)O
SMILESCACTVS3.341O[CH](CNC[P](O)(O)=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILESOpenEye OEToolkits1.5.0C(C(C(C(C(COP(=O)(O)O)O)O)O)O)NCP(=O)(O)O
Canonical SMILESCACTVS3.341 O[C@H](CNC[P](O)(O)=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@@H](COP(=O)(O)O)O)O)O)O)NCP(=O)(O)O
InChIInChI1.03 InChI=1S/C7H19NO11P2/c9-4(1-8-3-20(13,14)15)6(11)7(12)5(10)2-19-21(16,17)18/h4-12H,1-3H2,(H2,13,14,15)(H2,16,17,18)/t4-,5-,6-,7-/m1/s1
InChIKeyInChI1.03 YAEYOLVKVWEHNB-DBRKOABJSA-N

Drug Info: DrugBank

DrugBank IDDB02992 
Name1-Deoxy-6-O-Phosphono-1-[(Phosphonomethyl)Amino]-L-Threo-Hexitol
Groups experimental
Synonyms1-Deoxy-6-O-Phosphono-1-[(Phosphonomethyl)Amino]-L-Threo-Hexitol

Drug Targets

NameTarget SequencePharmacological ActionActions
2-dehydro-3-deoxyphosphooctonate aldolaseMEKFLVIAGPCAIESEELLLKVGEEIKRLSEKFKEVEFVFKSSFDKANRS...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 447811