Mannopine
| Internal ID | 02b7cff6-51a1-4af8-a92b-14dd9406b0d3 |
| 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 | (2S)-5-amino-5-oxo-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H22N2O8/c12-8(17)2-1-5(11(20)21)13-3-6(15)9(18)10(19)7(16)4-14/h5-7,9-10,13-16,18-19H,1-4H2,(H2,12,17)(H,20,21)/t5-,6+,7+,9+,10+/m0/s1 |
| InChI Key | VPRLICVDSGMIKO-SZWOQXJISA-N |
| Popularity | 43 references in papers |
| Molecular Formula | C11H22N2O8 |
| Molecular Weight | 310.30 g/mol |
| Exact Mass | 310.13761566 g/mol |
| Topological Polar Surface Area (TPSA) | 194.00 Ų |
| XlogP | -6.80 |
| 87084-52-4 |
| D-Mannitol, 1-((4-amino-1-carboxy-4-oxobutyl)amino)-1-deoxy-, (S)- |
| (2S)-5-amino-5-oxo-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid |
| SCHEMBL23388718 |
| CHEBI:80662 |
| DTXSID60236121 |
| N(alpha)-(1-D-mannityl)-L-glutamine |
| N(2)-(1'-deoxy-D-mannitol-1'-yl)-L-glutamine |
| Q27149704 |
| 1-{[(1S)-4-amino-1-carboxy-4-oxobutyl]amino}-1-deoxy-D-mannitol |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 | 99.41% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.66% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.18% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.12% | 99.17% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 87.58% | 96.03% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.91% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.28% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.01% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.11% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.47% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.37% | 97.29% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.75% | 98.05% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.28% | 90.20% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 121864 |
| LOTUS | LTS0104797 |
| wikiData | Q27149704 |