A1AUG

5-oxo-L-norvaline

Created:	2024-06-05
Last modified:	2025-06-04

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1 entries where A1AUG is found as a standalone ligand1 entries where A1AUG is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	1
Bond Count	17
Aromatic Bond Count	0

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Chemical Component Summary
Name	5-oxo-L-norvaline
Synonyms	L-glutamate gamma-aldehyde
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-5-oxidanylidene-pentanoic acid
Formula	C₅ H₉ N O₃
Molecular Weight	131.13
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=CCCC(N)C(=O)O
SMILES	CACTVS	3.385	N[CH](CCC=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	C(CC(C(=O)O)N)C=O
Canonical SMILES	CACTVS	3.385	N[C@@H](CCC=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C(C[C@@H](C(=O)O)N)C=O
InChI	InChI	1.06	InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1
InChIKey	InChI	1.06	KABXUUFDPUOJMW-BYPYZUCNSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB04388
Name	4-Carboxy-4-Aminobutanal
Groups	experimental
Synonyms	4-Carboxy-4-Aminobutanal

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Glutaminase-asparaginase	MNAALKTFAPSALALLLILPSSASAKEAETQQKLANVVILATGGTIAGAG...	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