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CHEBI:16550 - xanthommatin

Default Structure
ChEBI IDCHEBI:16550
ChEBI Namexanthommatin
Stars
DefinitionAn ommochrome that consists of a pyrido[3,2-a]phenoxazine ring system bearing hydroxy, carboxy, oxo and 3-amino-3-carboxypropanoyl substituents at positions 1, 3, 5 and 11 respectively. The parent of the class of xanthommatins.
Secondary ChEBI IDsCHEBI:10064, CHEBI:15321, CHEBI:27322
Last Modified11 November 2011
DownloadsMolfile
FormulaC20H13N3O8
Net Charge0
Average Mass423.337
Monoisotopic Mass423.07026
SMILESNC(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)
InChIKeyQLAHWTNCEYYDRR-UHFFFAOYSA-N
Roles Classification
Biological Role:
biological pigment  An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
ChEBI Ontology
Outgoing Relation(s)
xanthommatin (CHEBI:16550) is a xanthommatins (CHEBI:27323)
xanthommatin (CHEBI:16550) is conjugate acid of xanthommatin(1−) (CHEBI:57808)
Incoming Relation(s)
xanthommatin(1−) (CHEBI:57808) is conjugate base of xanthommatin (CHEBI:16550)
IUPAC Name 
11-(3-amino-3-carboxypropanoyl)-1-hydroxy-5-oxo-5H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
Synonym  Source
XanthommatinKEGG COMPOUND
Manual XrefsDatabases
C01969KEGG COMPOUND
C01969KEGG COMPOUND
Registry NumbersSources
Reaxys:633700Reaxys
CAS:521-58-4ChemIDplus
CAS:521-58-4KEGG COMPOUND
Citations