(2R)-2-amino-9-methylsulfanylnonanoic acid

Details

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Internal ID 244c291e-183c-44b7-9487-4603b88ef8cc
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > D-alpha-amino acids
IUPAC Name (2R)-2-amino-9-methylsulfanylnonanoic acid
SMILES (Canonical) CSCCCCCCCC(C(=O)O)N
SMILES (Isomeric) CSCCCCCCC[C@H](C(=O)O)N
InChI InChI=1S/C10H21NO2S/c1-14-8-6-4-2-3-5-7-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)/t9-/m1/s1
InChI Key GYYOKOIBHIWNHE-SECBINFHSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H21NO2S
Molecular Weight 219.35 g/mol
Exact Mass 219.12930009 g/mol
Topological Polar Surface Area (TPSA) 88.60 Ų
XlogP -0.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2R)-2-amino-9-methylsulfanylnonanoic acid

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 97.54% 96.09%
CHEMBL4040 P28482 MAP kinase ERK2 97.34% 83.82%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.19% 99.17%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 90.89% 92.29%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 90.24% 96.95%
CHEMBL2581 P07339 Cathepsin D 89.12% 98.95%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.59% 93.56%
CHEMBL236 P41143 Delta opioid receptor 83.36% 99.35%
CHEMBL1795117 Q8TEK3 Histone-lysine N-methyltransferase, H3 lysine-79 specific 82.88% 93.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.19% 90.71%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 81.58% 97.29%
CHEMBL2514 O95665 Neurotensin receptor 2 80.55% 100.00%
CHEMBL1907 P15144 Aminopeptidase N 80.34% 93.31%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.20% 100.00%

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 126970643
LOTUS LTS0236166
wikiData Q105024255