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Phytochelatin 3

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 4b64ecc9-c6c9-47c3-97d8-9ac3c57eda83
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides
IUPAC Name (2S)-2-amino-5-[[(2R)-1-[[(1S)-1-carboxy-4-[[(2R)-1-[[(1S)-1-carboxy-4-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
SMILES (Canonical) C(CC(=O)NC(CS)C(=O)NC(CCC(=O)NC(CS)C(=O)NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O)C(=O)O)C(C(=O)O)N
SMILES (Isomeric) C(CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O)C(=O)O)[C@@H](C(=O)O)N
InChI InChI=1S/C26H41N7O14S3/c27-11(24(42)43)1-4-17(34)30-15(9-49)22(40)32-13(26(46)47)3-6-19(36)31-16(10-50)23(41)33-12(25(44)45)2-5-18(35)29-14(8-48)21(39)28-7-20(37)38/h11-16,48-50H,1-10,27H2,(H,28,39)(H,29,35)(H,30,34)(H,31,36)(H,32,40)(H,33,41)(H,37,38)(H,42,43)(H,44,45)(H,46,47)/t11-,12-,13-,14-,15-,16-/m0/s1
InChI Key PCOMFCPXXQONPD-QNILMXGZSA-N
Popularity 12 references in papers

Physical and Chemical Properties

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Molecular Formula C26H41N7O14S3
Molecular Weight 771.80 g/mol
Exact Mass 771.18736253 g/mol
Topological Polar Surface Area (TPSA) 353.00 Ų
XlogP -6.70

Synonyms

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Cadystin A
Cadystin Protein, S Pombe
86220-45-3
Cadystin A (reduced)
(gamma-Glu-Cys)3-Gly
H-(gamma-Glu-Cys)3-Gly-OH
gammaGlu-Cys-gammaGlu-Cys-gammaGlu-Cys-Gly
(2S)-2-amino-5-[[(2R)-1-[[(1S)-1-carboxy-4-[[(2R)-1-[[(1S)-1-carboxy-4-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
H-gamma-L-Glu-L-Cys-gamma-L-Glu-L-Cys-gamma-L-Glu-L-Cys-Gly-OH
L-gamma-glutamyl-L-cysteinyl-L-gamma-glutamyl-L-cysteinyl-L-gamma-glutamyl-L-cysteinylglycine
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Phytochelatin 3

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 99.40% 83.82%
CHEMBL236 P41143 Delta opioid receptor 98.74% 99.35%
CHEMBL2581 P07339 Cathepsin D 98.18% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 96.32% 90.17%
CHEMBL3060 Q9Y345 Glycine transporter 2 96.29% 99.17%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 94.99% 92.29%
CHEMBL1255126 O15151 Protein Mdm4 92.93% 90.20%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.14% 94.45%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 90.09% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.98% 91.11%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 87.77% 97.21%
CHEMBL3234 P08631 Tyrosine-protein kinase HCK 87.60% 88.89%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.96% 96.09%
CHEMBL3784 Q09472 Histone acetyltransferase p300 86.75% 93.33%
CHEMBL340 P08684 Cytochrome P450 3A4 86.62% 91.19%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 85.99% 96.95%
CHEMBL230 P35354 Cyclooxygenase-2 85.18% 89.63%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 84.80% 97.23%
CHEMBL4101 P17612 cAMP-dependent protein kinase alpha-catalytic subunit 84.79% 82.86%
CHEMBL4816 Q9Y243 Serine/threonine-protein kinase AKT3 84.44% 96.28%
CHEMBL2514 O95665 Neurotensin receptor 2 84.13% 100.00%
CHEMBL4801 P29466 Caspase-1 83.51% 96.85%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.65% 93.56%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 82.60% 96.47%
CHEMBL2413 P32246 C-C chemokine receptor type 1 82.47% 89.50%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 82.01% 98.33%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.27% 90.71%
CHEMBL4979 P13866 Sodium/glucose cotransporter 1 80.89% 98.24%
CHEMBL2973 O75116 Rho-associated protein kinase 2 80.87% 96.73%
CHEMBL233 P35372 Mu opioid receptor 80.73% 97.93%
CHEMBL4394 Q9NYA1 Sphingosine kinase 1 80.51% 96.03%

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.
There are no matching plants.

Cross-Links

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PubChem 174541
LOTUS LTS0208838
wikiData Q27133399