(S)-Acpa

Details

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Internal ID 355dff62-d9a8-4d67-ab33-9dee136ab321
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > L-alpha-amino acids
IUPAC Name 4-[(2S)-2-amino-2-carboxyethyl]-5-methyl-1,2-oxazole-3-carboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)/t5-/m0/s1
InChI Key JDNMYUBSFDGCSX-YFKPBYRVSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C8H10N2O5
Molecular Weight 214.18 g/mol
Exact Mass 214.05897142 g/mol
Topological Polar Surface Area (TPSA) 127.00 Ų
XlogP -2.70

Synonyms

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4-[(2S)-2-amino-2-carboxyethyl]-5-methyl-1,2-oxazole-3-carboxylic acid
(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid
4-((2S)-2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
RefChem:70459
(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionate
1m5e
1m5f
CHEMBL602962
AC1L9KFY
SureCN13319941
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of (S)-Acpa

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 93.22% 96.09%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 90.25% 92.29%
CHEMBL3401 O75469 Pregnane X receptor 89.19% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.91% 99.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.88% 95.56%
CHEMBL2581 P07339 Cathepsin D 85.35% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 84.95% 90.17%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.17% 96.95%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.85% 96.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.40% 93.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.85% 86.33%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 82.79% 81.11%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 82.24% 97.21%

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 447083
LOTUS LTS0072120
wikiData Q27115754