PHD

ASPARTYL PHOSPHATE

Created: 1999-10-06
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count1
Bond Count20
Aromatic Bond Count0
2D diagram of PHD
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Chemical Component Summary

NameASPARTYL PHOSPHATE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-4-oxo-4-phosphonooxy-butanoic acid
FormulaC4 H8 N O7 P
Molecular Weight213.083
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(OP(=O)(O)O)CC(C(=O)O)N
SMILESCACTVS3.341N[CH](CC(=O)O[P](O)(O)=O)C(O)=O
SMILESOpenEye OEToolkits1.5.0C(C(C(=O)O)N)C(=O)OP(=O)(O)O
Canonical SMILESCACTVS3.341 N[C@@H](CC(=O)O[P](O)(O)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1
InChIKeyInChI1.03 IXZNKTPIYKDIGG-REOHCLBHSA-N

Drug Info: DrugBank

DrugBank IDDB01857 
NamePhosphoaspartate
Groups experimental
SynonymsPhosphoaspartate

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-phosphoglucomutaseMFKAVLFDLDGVITDTAEYHFRAWKALAEEIGINGVDRQFNEQLKGVSRE...unknown
Nitrogen regulation protein NR(I)MQRGIVWVVDDDSSIRWVLERALAGAGLTCTTFENGNEVLAALASKTPDV...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 152441
ChEBI CHEBI:15836