N-(gamma-L-glutamyl)-L-alaninol

Details

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Internal ID e5191535-4472-4a9c-8e17-118b3e6faadf
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamine and derivatives
IUPAC Name (2S)-2-amino-5-[[(2S)-1-hydroxypropan-2-yl]amino]-5-oxopentanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C8H16N2O4/c1-5(4-11)10-7(12)3-2-6(9)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)/t5-,6-/m0/s1
InChI Key JJWXGBABENFUNJ-WDSKDSINSA-N
Popularity 1 reference 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 -4.00

Synonyms

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N-(gamma-L-glutamyl)-L-alaninol
CHEBI:85894
N-[(2S)-1-hydroxypropan-2-yl]-L-glutamine
Q27158565

2D Structure

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2D Structure of N-(gamma-L-glutamyl)-L-alaninol

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 99.36% 83.82%
CHEMBL2581 P07339 Cathepsin D 94.16% 98.95%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 93.04% 92.29%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.83% 99.17%
CHEMBL221 P23219 Cyclooxygenase-1 91.71% 90.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.67% 96.09%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 89.64% 100.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 85.55% 96.47%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.98% 97.29%
CHEMBL1255126 O15151 Protein Mdm4 83.33% 90.20%
CHEMBL340 P08684 Cytochrome P450 3A4 82.77% 91.19%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.48% 93.56%
CHEMBL230 P35354 Cyclooxygenase-2 82.34% 89.63%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.32% 94.45%
CHEMBL3401 O75469 Pregnane X receptor 81.82% 94.73%
CHEMBL2413 P32246 C-C chemokine receptor type 1 81.66% 89.50%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.94% 94.33%
CHEMBL2514 O95665 Neurotensin receptor 2 80.57% 100.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 25202986
LOTUS LTS0219892
wikiData Q27158565