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CHEBI:42034 - (S)-2-(4-nitrobenzyl)-DOTA
| Formula | C23H33N5O10 |
| Net Charge | 0 |
| Average Mass | 539.542 |
| Monoisotopic Mass | 539.22274 |
| SMILES | O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)CN(CC(=O)O)CC1 |
| InChI | InChI=1S/C23H33N5O10/c29-20(30)13-24-5-6-25(14-21(31)32)9-10-27(16-23(35)36)19(12-26(8-7-24)15-22(33)34)11-17-1-3-18(4-2-17)28(37)38/h1-4,19H,5-16H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t19-/m0/s1 |
| InChIKey | SQWOBSHRAUJBNP-IBGZPJMESA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-2-(4-nitrobenzyl)-DOTA (CHEBI:42034) has functional parent DOTA (CHEBI:61028) |
| (S)-2-(4-nitrobenzyl)-DOTA (CHEBI:42034) has role epitope (CHEBI:53000) |
| (S)-2-(4-nitrobenzyl)-DOTA (CHEBI:42034) is a C-nitro compound (CHEBI:35716) |
| (S)-2-(4-nitrobenzyl)-DOTA (CHEBI:42034) is a azamacrocycle (CHEBI:52898) |
| (S)-2-(4-nitrobenzyl)-DOTA (CHEBI:42034) is a tetracarboxylic acid (CHEBI:35742) |
| IUPAC Name |
|---|
| 2,2',2'',2'''-[(2S)-2-(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl]tetraacetic acid |
| Synonyms | Source |
|---|---|
| 2,2',2'',2'''-[(2S)-2-(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl]tetraacetic acid | PDBeChem |
| (S)-2-(p-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid | ChEBI |
| Citations |
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