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CHEBI:219058 - Imizoquin C
| Formula | C28H32N4O10 |
| Net Charge | 0 |
| Average Mass | 584.582 |
| Monoisotopic Mass | 584.21184 |
| SMILES | COc1c(O)c(O)c2c(c1O)[C@H]1N[C@@H](Cc3cnc4ccccc34)C(=O)N1C(C(=O)N[C@@H](CC(CO)CO)C(=O)O)C2 |
| InChI | InChI=1S/C28H32N4O10/c1-42-24-22(36)20-15(21(35)23(24)37)8-19(26(38)31-18(28(40)41)6-12(10-33)11-34)32-25(20)30-17(27(32)39)7-13-9-29-16-5-3-2-4-14(13)16/h2-5,9,12,17-19,25,29-30,33-37H,6-8,10-11H2,1H3,(H,31,38)(H,40,41)/t17-,18-,19?,25-/m0/s1 |
| InChIKey | JQAGFGHSXWGRJE-CSQDBYODSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus flavus (ncbitaxon:5059) | - | PubMed (29182847) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Imizoquin C (CHEBI:219058) is a N-acyl-L-amino acid (CHEBI:21644) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S,10bS)-7,8,10-trihydroxy-2-(1H-indol-3-ylmethyl)-9-methoxy-3-oxo-2,5,6,10b-tetrahydro-1H-imidazo[2,1-a]isoquinoline-5-carbonyl]amino]-5-hydroxy-4-(hydroxymethyl)pentanoic acid |