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CHEBI:57808 - xanthommatin(1−)

ChEBI IDCHEBI:57808
ChEBI Namexanthommatin(1−)
Stars
ASCII Namexanthommatin(1-)
DefinitionConjugate base of xanthommatin having both carboxy groups deprotonated and the amino group protonated; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC20H12N3O8
Net Charge-1
Average Mass422.329
Monoisotopic Mass422.06299
SMILES[NH3+]C(CC(=O)c1cccc2oc3cc(=O)c4nc(C(=O)[O-])cc(O)c4c-3nc12)C(=O)[O-]
InChIInChI=1S/C20H13N3O8/c21-8(19(27)28)4-10(24)7-2-1-3-13-16(7)23-18-14(31-13)6-12(26)17-15(18)11(25)5-9(22-17)20(29)30/h1-3,5-6,8H,4,21H2,(H,22,25)(H,27,28)(H,29,30)/p-1
InChIKeyQLAHWTNCEYYDRR-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
xanthommatin(1−) (CHEBI:57808) is a amino-acid anion (CHEBI:37022)
xanthommatin(1−) (CHEBI:57808) is conjugate base of xanthommatin (CHEBI:16550)
Incoming Relation(s)
xanthommatin (CHEBI:16550) is conjugate acid of xanthommatin(1−) (CHEBI:57808)
IUPAC Name 
11-(3-azaniumyl-3-carboxylatopropanoyl)-1-hydroxy-5-oxo-5H-pyrido[3,2-a]phenoxazine-3-carboxylate
Synonym  Source
xanthommatin anionChEBI
UniProt Name  Source
xanthommatinUniProt