H-Ala-Ala-Gly-OH

Details

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Internal ID a59ead9a-0e2a-4f4b-bc66-9293bea610c9
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides
IUPAC Name 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid
SMILES (Canonical) CC(C(=O)NC(C)C(=O)NCC(=O)O)N
SMILES (Isomeric) C[C@@H](C(=O)N[C@@H](C)C(=O)NCC(=O)O)N
InChI InChI=1S/C8H15N3O4/c1-4(9)7(14)11-5(2)8(15)10-3-6(12)13/h4-5H,3,9H2,1-2H3,(H,10,15)(H,11,14)(H,12,13)/t4-,5-/m0/s1
InChI Key RLMISHABBKUNFO-WHFBIAKZSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C8H15N3O4
Molecular Weight 217.22 g/mol
Exact Mass 217.10625597 g/mol
Topological Polar Surface Area (TPSA) 122.00 Ų
XlogP -3.90

Synonyms

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Ala-Ala-Gly
16422-07-4
l-alanyl-l-alanyl-glycine
L-Ala-L-Ala-Gly
Alanyl-alanyl-glycine
L-alanyl-L-alanylglycine
A-A-G
SCHEMBL2544527
CHEBI:73318
Q27140434
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of H-Ala-Ala-Gly-OH

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 99.84% 83.82%
CHEMBL2581 P07339 Cathepsin D 97.94% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.47% 96.09%
CHEMBL221 P23219 Cyclooxygenase-1 92.80% 90.17%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 91.12% 100.00%
CHEMBL3308 P55212 Caspase-6 87.86% 97.56%
CHEMBL236 P41143 Delta opioid receptor 87.47% 99.35%
CHEMBL230 P35354 Cyclooxygenase-2 86.72% 89.63%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.08% 93.56%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 85.04% 95.58%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.87% 96.95%
CHEMBL1255126 O15151 Protein Mdm4 84.69% 90.20%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 84.16% 97.21%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 84.14% 96.47%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.02% 99.17%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 82.43% 96.67%
CHEMBL340 P08684 Cytochrome P450 3A4 82.02% 91.19%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 80.61% 89.33%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 80.17% 95.71%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 80.03% 92.29%

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 7010590
LOTUS LTS0235088
wikiData Q27140434