2-Amino-6-(carboxymethylamino)hexanoic acid

Details

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Internal ID 535e3669-b9a7-4b7c-9e40-468dff881e82
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids
IUPAC Name 2-amino-6-(carboxymethylamino)hexanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)
InChI Key NUXSIDPKKIEIMI-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C8H16N2O4
Molecular Weight 204.22 g/mol
Exact Mass 204.11100700 g/mol
Topological Polar Surface Area (TPSA) 113.00 Ų
XlogP -5.20

Synonyms

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N?-(1-Carboxymethyl)-L-lysine-d3
Ns/-Carboxymethyl-L-lysine
SCHEMBL2548650
BCP31110
FT-0629733
Q4214591
NECML;N(6)-Carboxymethyllysine;N(epsilon)-(Carboxymethyl)lysine

2D Structure

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2D Structure of 2-Amino-6-(carboxymethylamino)hexanoic 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 95.45% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.33% 99.17%
CHEMBL4040 P28482 MAP kinase ERK2 94.22% 83.82%
CHEMBL221 P23219 Cyclooxygenase-1 92.81% 90.17%
CHEMBL2581 P07339 Cathepsin D 89.31% 98.95%
CHEMBL236 P41143 Delta opioid receptor 87.83% 99.35%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 86.81% 100.00%
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 85.48% 94.01%
CHEMBL2514 O95665 Neurotensin receptor 2 85.28% 100.00%
CHEMBL1255126 O15151 Protein Mdm4 85.20% 90.20%
CHEMBL4070 P19784 Casein kinase II alpha (prime) 84.02% 91.67%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 83.95% 97.21%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 83.15% 97.29%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.08% 91.11%
CHEMBL1938211 O15054 Lysine-specific demethylase 6B 83.07% 83.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.34% 94.45%
CHEMBL1795117 Q8TEK3 Histone-lysine N-methyltransferase, H3 lysine-79 specific 82.29% 93.56%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.68% 100.00%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 81.61% 92.29%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.08% 93.56%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 80.81% 96.47%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.21% 94.33%
CHEMBL340 P08684 Cytochrome P450 3A4 80.10% 91.19%
CHEMBL5285 Q99683 Mitogen-activated protein kinase kinase kinase 5 80.00% 92.26%

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.
Sagittaria pygmaea

Cross-Links

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PubChem 15691192
LOTUS LTS0076601
wikiData Q4214591