(R)-1-PeCSO

Details

Top
Internal ID e1aabe46-4bb0-4d1b-9748-db13fcad9d5f
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids
IUPAC Name (2R)-2-amino-3-[(R)-[(E)-prop-1-enyl]sulfinyl]propanoic acid
SMILES (Canonical) CC=CS(=O)CC(C(=O)O)N
SMILES (Isomeric) C/C=C/[S@](=O)C[C@@H](C(=O)O)N
InChI InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-,11-/m0/s1
InChI Key OKYHUOHBRKWCQJ-UUEXCLNXSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C6H11NO3S
Molecular Weight 177.22 g/mol
Exact Mass 177.04596439 g/mol
Topological Polar Surface Area (TPSA) 99.60 Ų
XlogP -3.40

Synonyms

Top
DTXSID501318580
HY-111825A

2D Structure

Top
2D Structure of (R)-1-PeCSO

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 97.25% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.23% 96.09%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 92.85% 92.29%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 91.27% 96.95%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 88.49% 97.21%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.97% 99.17%
CHEMBL2581 P07339 Cathepsin D 84.58% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.55% 95.56%

Plants that contains it

Top
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.
Allium cepa

Cross-Links

Top
PubChem 118989467
LOTUS LTS0198411
wikiData Q105193826