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CHEBI:190291 - 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-1-hydroxy-6-oxo-2,3,5-trioxabicyclo[2.2.2]oct-7-en-7-olate
| Formula | C13H9O8 |
| Net Charge | -1 |
| Average Mass | 293.207 |
| Monoisotopic Mass | 293.03029 |
| SMILES | O=C1OC2(/C=C/c3ccc(O)c(O)c3)C=C([O-])C1(O)OO2 |
| InChI | InChI=1S/C13H10O8/c14-8-2-1-7(5-9(8)15)3-4-12-6-10(16)13(18,21-20-12)11(17)19-12/h1-6,14-16,18H/p-1/b4-3+ |
| InChIKey | YKRIHJNBOCNWST-ONEGZZNKSA-M |
| Roles Classification |
|---|
| Chemical Role: | luciferin A low-molecular-mass compound present in bioluminescent organisms that emits light when oxidized in presence of enzyme luciferase. |
| Biological Role: | luciferin A low-molecular-mass compound present in bioluminescent organisms that emits light when oxidized in presence of enzyme luciferase. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-1-hydroxy-6-oxo-2,3,5-trioxabicyclo[2.2.2]oct-7-en-7-olate (CHEBI:190291) has role luciferin (CHEBI:25078) |
| 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-1-hydroxy-6-oxo-2,3,5-trioxabicyclo[2.2.2]oct-7-en-7-olate (CHEBI:190291) is a catechols (CHEBI:33566) |
| UniProt Name | Source |
|---|---|
| 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-1,7-dihydroxy-2,3,5-trioxabicyclo[2.2.2]oct-7-en-6-one | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-20574 | MetaCyc |
| Citations |
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