CHEBI:57808 - xanthommatin(1−)

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ChEBI Name xanthommatin(1−)
ChEBI ID CHEBI:57808
ChEBI ASCII Name xanthommatin(1-)
Definition Conjugate base of xanthommatin having both carboxy groups deprotonated and the amino group protonated; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H12N3O8
Net Charge -1
Average Mass 422.32460
Monoisotopic Mass 422.06299
InChI InChI=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
InChIKey QLAHWTNCEYYDRR-UHFFFAOYSA-M
SMILES [NH3+]C(CC(=O)c1cccc2oc3cc(=O)c4nc(cc(O)c4c3nc12)C([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing xanthommatin(1−) (CHEBI:57808) is a amino-acid anion (CHEBI:37022)
xanthommatin(1−) (CHEBI:57808) is conjugate base of xanthommatin (CHEBI:16550)
Incoming 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
Synonyms Sources
xanthommatin UniProt
xanthommatin anion ChEBI
Last Modified
13 November 2017