Nitroarginine

Details

• Internal ID: 6f161f26-f6b3-4d04-9ad9-c67308a65b15
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > L-alpha-amino acids
• IUPAC Name: (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoic acid
• SMILES (Canonical): C(CC(C(=O)O)N)CN=C(N)N[N+](=O)[O-]
• SMILES (Isomeric): C(C[C@@H](C(=O)O)N)CN=C(N)N[N+](=O)[O-]
• InChI: InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
• InChI Key: MRAUNPAHJZDYCK-BYPYZUCNSA-N
• Popularity: 6,207 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₃N₅O₄
• Molecular Weight: 219.20 g/mol
• Exact Mass: 219.09675391 g/mol
• Topological Polar Surface Area (TPSA): 160.00 Ų
• XlogP: -3.60

Synonyms

• 2149-70-4
• NITROARGININE
• NG-Nitro-L-arginine
• L-NNA
• N-Nitro-L-arginine
• N-OMEGA-NITRO-L-ARGININE
• (S)-2-Amino-5-(3-nitroguanidino)pentanoic acid
• N(G)-Nitro-L-arginine
• N(G)-Nitroarginine
• Nomega-Nitro-L-arginine
• omega-Nitroarginine
• N (g)-NITRO-L-ARGININE
• Nitro-L-arginine
• L-NG-nitroarginine
• .omega.-Nitroarginine
• NSC 53662
• N(omega)-Nitro-L-arginine
• N.omega.-Nitro-L-arginine
• L-Arginine, .omega.-nitro-
• 7O8V7H6P2J
• L-nitroarginine
• NG-NO2-L-Arg
• Ornithine, N(5)-(nitroamidino)-, L-
• Norvaline, 5-(2-nitroguanidino)-, (+)-
• L-Ornithine, N5-(imino(nitroamino)methyl)-
• L-Ornithine, N5-[imino(nitroamino)methyl]-
• NRG
• MFCD00007033
• L-N-Nitroarginine
• L-Nw-nitroarginine
• Arginine, N(G)-nitro-
• Arginine, .omega.-nitro-
• (+)-NG-Nitroarginine
• NSC-53662
• nw-nitro-l-arginine
• arg(no2)
• N?-Nitro-L-arginine
• hDDAH inhibitor, 2g
• NG -nitro-L-arginine
• N G-Nitro-L-arginine
• Tocris-0664
• Arginine, omega-nitro-
• N~5~-(N-nitrocarbamimidoyl)-L-ornithine
• 2-amino-5-(N'-nitrocarbamimidamido)pentanoic acid
• H-Arg(NO2)
• Spectrum2_001478
• Spectrum3_001083
• Spectrum4_001236
• Spectrum5_001019
• N(G)-Methyl-L-arginine
• L-NOARG; L-NNA
• .omega.-Nitro-L-arginine
• N(gamma)-nitro-L-arginine
• [N(g)-nitro-L-arginine]
• N(sup G)-Nitro-L-arginine
• UNII-7O8V7H6P2J
• Lopac0_000818
• BSPBio_002726
• KBioGR_001732
• Arginine, omega-nitro-, L-
• DivK1c_001016
• DivK1c_001033
• SCHEMBL345312
• SPECTRUM1502155
• SPBio_001435
• L-ARGININE, NG-NITRO-
• GTPL8759
• Arginine, .omega.-nitro-, L-
• DTXSID2042696
• CHEBI:27960
• HMS503K13
• HMS503O07
• KBio1_001016
• KBio1_001033
• KBio3_001946
• NINDS_001016
• NINDS_001033
• Arginine, N(G)-nitro-, (L)-
• BDBM235692
• HMS1921L10
• HMS3262D17
• Arginine, N(G)-nitro-, (+)-
• BCP19702
• EINECS 218-418-9
• Tox21_500818
• (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoic acid
• AC8432
• CCG-39196
• HSCI1_000287
• ZINC19796052
• compound 2 [PMID: 9667974]
• AKOS005175145
• DB04223
• LP00818
• N5-(N-nitrocarbamimidoyl)-L-ornithine
• SDCCGSBI-0050795.P003
• IDI1_001016
• IDI1_001033
• NCGC00024716-01
• NCGC00024716-02
• NCGC00024716-03
• NCGC00024716-04
• NCGC00024716-05
• NCGC00024716-09
• NCGC00261503-01
• DS-13295
• N5-[Imino(nitroamino)methyl]-L-ornithine
• AI3-62168
• ORNITHINE, N5-(NITROAMIDINO)-, L-
• CS-0003088
• EU-0100818
• N0660
• C03417
• EN300-204408
• M03121
• N 5501
• N-2570
• SR-01000597670
• J-300041
• Q7041453
• SR-01000597670-1
• (2S)-2-amino-5-(N'-nitrocarbamimidamido)pentanoic acid
• Z2768168371
• (2S)-2-amino-5-[[amino(nitramido)methylene]amino]pentanoic acid

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.08%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.63%	99.17%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	93.24%	92.29%
CHEMBL1255126	O15151	Protein Mdm4	93.17%	90.20%
CHEMBL3717	P08581	Hepatocyte growth factor receptor	90.52%	96.55%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	90.28%	96.95%
CHEMBL1795117	Q8TEK3	Histone-lysine N-methyltransferase, H3 lysine-79 specific	87.18%	93.56%
CHEMBL221	P23219	Cyclooxygenase-1	86.46%	90.17%
CHEMBL2185	Q96GD4	Serine/threonine-protein kinase Aurora-B	85.63%	96.80%
CHEMBL2514	O95665	Neurotensin receptor 2	85.40%	100.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.35%	91.11%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	85.21%	100.00%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	85.16%	96.47%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	84.27%	94.33%
CHEMBL2581	P07339	Cathepsin D	83.66%	98.95%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	83.44%	92.88%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.90%	93.56%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.91%	90.71%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.75%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 440005
• LOTUS: LTS0085796
• wikiData: Q7041453