gamma-Glutamylmethionine sulfoximine

Details

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Internal ID 9e7fce0e-71f0-4f4a-9864-e1da86460f30
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
IUPAC Name (2S)-2-amino-5-[[(1S)-1-carboxy-3-(methylsulfonimidoyl)propyl]amino]-5-oxopentanoic acid
SMILES (Canonical) CS(=N)(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)N
SMILES (Isomeric) CS(=N)(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI InChI=1S/C10H19N3O6S/c1-20(12,19)5-4-7(10(17)18)13-8(14)3-2-6(11)9(15)16/h6-7,12H,2-5,11H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t6-,7-,20?/m0/s1
InChI Key NPPALQSPDYMHBI-ICZSOJPRSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H19N3O6S
Molecular Weight 309.34 g/mol
Exact Mass 309.09945651 g/mol
Topological Polar Surface Area (TPSA) 179.00 Ų
XlogP -3.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of gamma-Glutamylmethionine sulfoximine

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
CHEMBL2581 P07339 Cathepsin D 98.08% 98.95%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 97.96% 92.29%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 96.97% 95.17%
CHEMBL4040 P28482 MAP kinase ERK2 96.40% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.25% 96.09%
CHEMBL236 P41143 Delta opioid receptor 95.15% 99.35%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.86% 99.17%
CHEMBL221 P23219 Cyclooxygenase-1 89.16% 90.17%
CHEMBL340 P08684 Cytochrome P450 3A4 89.08% 91.19%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 88.88% 96.95%
CHEMBL1952 P04818 Thymidylate synthase 86.70% 93.53%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 86.38% 97.21%
CHEMBL1255126 O15151 Protein Mdm4 86.14% 90.20%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 86.10% 100.00%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 86.09% 93.10%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.36% 90.71%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 83.11% 94.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.05% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.05% 95.56%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.90% 93.56%
CHEMBL4394 Q9NYA1 Sphingosine kinase 1 81.18% 96.03%
CHEMBL2413 P32246 C-C chemokine receptor type 1 81.07% 89.50%
CHEMBL2514 O95665 Neurotensin receptor 2 80.17% 100.00%
CHEMBL226 P30542 Adenosine A1 receptor 80.06% 95.93%

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.
Pinus taeda

Cross-Links

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PubChem 139584790
LOTUS LTS0129473
wikiData Q105190296