AL0

3-[HYDROXY(NITROSO)AMINO]-L-ALANINE

Created: 2005-08-16
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count1
Bond Count16
Aromatic Bond Count0
2D diagram of AL0

Chemical Component Summary

Name3-[HYDROXY(NITROSO)AMINO]-L-ALANINE
SynonymsL-ALANOSINE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-3-(hydroxy-nitroso-amino)propanoic acid
FormulaC3 H7 N3 O4
Molecular Weight149.105
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(N)CN(O)N=O
SMILESCACTVS3.341N[CH](CN(O)N=O)C(O)=O
SMILESOpenEye OEToolkits1.5.0C(C(C(=O)O)N)N(N=O)O
Canonical SMILESCACTVS3.341 N[C@@H](CN(O)N=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@@H](C(=O)O)N)N(N=O)O
InChIInChI1.03 InChI=1S/C3H7N3O4/c4-2(3(7)8)1-6(10)5-9/h2,10H,1,4H2,(H,7,8)/t2-/m0/s1
InChIKeyInChI1.03 MLFKVJCWGUZWNV-REOHCLBHSA-N

Drug Info: DrugBank

DrugBank IDDB05540 
NameAlanosine
Groups investigational
DescriptionAn amino acid analogue and antibiotic derived from the bacterium Streptomyces alanosinicus with antimetabolite and potential antineoplastic activities.
Synonyms
  • L-Alanosine
  • Alanosine
  • Alanosina
  • Alanosinum
IndicationInvestigated for use/treatment in brain cancer and cancer/tumors (unspecified).
Categories
  • Amino Acids
  • Amino Acids, Peptides, and Proteins
  • Antibiotics, Antineoplastic
  • Antineoplastic Agents
  • Chelating Agents
CAS number5854-93-3

Drug Targets

NameTarget SequencePharmacological ActionActions
Aspartate carbamoyltransferase catalytic subunitMANPLYQKHIISINDLSRDDLNLVLATAAKLKANPQPELLKHKVIASCFF...unknown
Adenylosuccinate synthetase isozyme 2MAFAETYPAASSLPNGDCGRPRARPGGNRVTVVLGAQWGDEGKGKVVDLL...unknown
Adenylosuccinate synthetase isozyme 1MSGTRASNDRPPGAGGVKRGRLQQEAAATGSRVTVVLGAQWGDEGKGKVV...unknown
Cystine/glutamate transporterMVRKPVVSTISKGGYLQGNVNGRLPSLGNKEPPGQEKVQLKRKVTLLRGV...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 90657278, 22128