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CHEBI:81318 - Dopaxanthin quinone

Default Structure
ChEBI IDCHEBI:81318
ChEBI NameDopaxanthin quinone
Stars
Last Modified26 March 2015
DownloadsMolfile
FormulaC18H16N2O8
Net Charge0
Average Mass388.332
Monoisotopic Mass388.09067
SMILESO=C(O)C1=C/C(=C/C=N\[C@@H](CC2=CC(=O)C(=O)C=C2)C(=O)O)C[C@@H](C(=O)O)N1
InChIInChI=1S/C18H16N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4-/t11-,13-/m0/s1
InChIKeyDVOFEZJSDVPRON-AFUNOPLTSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Dopaxanthin quinone (CHEBI:81318) is a non-proteinogenic α-amino acid (CHEBI:83925)
Manual XrefsDatabases
C17753KEGG COMPOUND