PSQ

NDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE

Created: 2000-01-27
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count2
Bond Count31
Aromatic Bond Count0
2D diagram of PSQ
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Chemical Component Summary

NameNDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-5-[[amino-(sulfoamino)phosphoryl]amino]pentanoic acid
FormulaC5 H15 N4 O6 P S
Molecular Weight290.235
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(NCCCC(C(=O)O)N)(NS(=O)(=O)O)N
SMILESCACTVS3.341N[CH](CCCN[P](N)(=O)N[S](O)(=O)=O)C(O)=O
SMILESOpenEye OEToolkits1.5.0C(CC(C(=O)O)N)CNP(=O)(N)NS(=O)(=O)O
Canonical SMILESCACTVS3.341 N[C@@H](CCCN[P@@](N)(=O)N[S](O)(=O)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C(C[C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O
InChIInChI1.03 InChI=1S/C5H15N4O6PS/c6-4(5(10)11)2-1-3-8-16(7,12)9-17(13,14)15/h4H,1-3,6H2,(H,10,11)(H,13,14,15)(H4,7,8,9,12)/t4-,16+/m0/s1
InChIKeyInChI1.03 MDGVOXPIIICZEK-FOIQGAMDSA-N

Drug Info: DrugBank

DrugBank IDDB02965 
NameNdelta-(N'-Sulphodiaminophosphinyl)-L-Ornithine
Groups experimental
SynonymsNdelta-(N'-Sulphodiaminophosphinyl)-L-Ornithine

Drug Targets

NameTarget SequencePharmacological ActionActions
Ornithine carbamoyltransferase chain IMSGFYHKHFLKLLDFTPAELNSLLQLAAKLKADKKSGKEEAKLTGKNIAL...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 9543429