N-acetylornithine

Details

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Internal ID 65db2ec7-35ac-4840-b376-2e95017e8e4c
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids > N-acyl-L-alpha-amino acids
IUPAC Name (2S)-2-acetamido-5-aminopentanoic acid
SMILES (Canonical) CC(=O)NC(CCCN)C(=O)O
SMILES (Isomeric) CC(=O)N[C@@H](CCCN)C(=O)O
InChI InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChI Key JRLGPAXAGHMNOL-LURJTMIESA-N
Popularity 337 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 -4.80

Synonyms

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AC-ORN-OH
6205-08-9
N2-acetyl-L-ornithine
Nalpha-Acetyl-L-ornithine
N(2)-acetyl-L-ornithine
acetyl-ornithine
(S)-2-acetamido-5-aminopentanoic acid
(2S)-2-acetamido-5-aminopentanoic acid
(2S)-5-amino-2-acetamidopentanoic acid
Na-Acetyl-L-ornithine
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-acetylornithine

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
CHEMBL4040 P28482 MAP kinase ERK2 97.18% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.61% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.74% 99.17%
CHEMBL2581 P07339 Cathepsin D 92.21% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 91.82% 90.17%
CHEMBL3359 P21462 Formyl peptide receptor 1 87.76% 93.56%
CHEMBL1255126 O15151 Protein Mdm4 86.74% 90.20%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.28% 91.11%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 85.52% 97.21%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.07% 96.00%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 84.61% 92.29%
CHEMBL2885 P07451 Carbonic anhydrase III 83.91% 87.45%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 83.70% 97.29%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 83.44% 100.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 82.71% 95.50%
CHEMBL2514 O95665 Neurotensin receptor 2 82.58% 100.00%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 81.88% 98.33%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 81.78% 94.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.42% 94.45%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.36% 100.00%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 80.36% 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.
Arabidopsis thaliana

Cross-Links

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PubChem 439232
LOTUS LTS0201075
wikiData Q26690116