N(5)-Acetyl-L-ornithine

Details

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Internal ID 031a3e28-e6cc-4619-8e62-f269b5f0adbe
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids
IUPAC Name (2S)-5-acetamido-2-aminopentanoic acid
SMILES (Canonical) CC(=O)NCCCC(C(=O)O)N
SMILES (Isomeric) CC(=O)NCCC[C@@H](C(=O)O)N
InChI InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChI Key SRXKAYJJGAAOBP-LURJTMIESA-N
Popularity 17 references in papers

Physical and Chemical Properties

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Molecular Formula C7H14N2O3
Molecular Weight 174.20 g/mol
Exact Mass 174.10044231 g/mol
Topological Polar Surface Area (TPSA) 92.40 Ų
XlogP -3.70

Synonyms

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2185-16-2
(S)-5-Acetamido-2-aminopentanoic acid
n5-acetyl-l-ornithine
N(delta)-Acetylornithine
n5-acetylornithine
(2S)-5-acetamido-2-aminopentanoic acid
N~5~-acetyl-L-ornithine
516JQZ64WQ
(2S)-2-amino-5-acetamidopentanoic acid
L-Ornithine, N5-acetyl-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of N(5)-Acetyl-L-ornithine

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 97.59% 96.09%
CHEMBL4040 P28482 MAP kinase ERK2 96.04% 83.82%
CHEMBL2581 P07339 Cathepsin D 94.42% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.41% 99.17%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 90.11% 97.21%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 89.95% 92.29%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 89.23% 97.29%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.23% 96.95%
CHEMBL2514 O95665 Neurotensin receptor 2 86.87% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.71% 91.11%
CHEMBL1795117 Q8TEK3 Histone-lysine N-methyltransferase, H3 lysine-79 specific 86.67% 93.56%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 84.77% 85.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 83.65% 94.33%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.17% 100.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 81.88% 96.47%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.60% 93.56%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 81.33% 100.00%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 80.24% 95.17%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Corydalis sibirica
Onobrychis viciifolia
Phaseolus vulgaris

Cross-Links

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PubChem 193343
LOTUS LTS0152975
wikiData Q27120569