CHEBI:16550 - xanthommatin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name xanthommatin
ChEBI ID CHEBI:16550
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:15321, CHEBI:10064, CHEBI:27322
Supplier Information
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Formula C20H13N3O8
Net Charge 0
Average Mass 423.33264
Monoisotopic Mass 423.07026
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)
InChIKey QLAHWTNCEYYDRR-UHFFFAOYSA-N
SMILES NC(CC(=O)c1cccc2oc3cc(=O)c4nc(cc(O)c4c3nc12)C(O)=O)C(O)=O
Roles Classification
Biological Role(s): biological pigment
An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
(via ommochrome )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing xanthommatin (CHEBI:16550) is a xanthommatins (CHEBI:27323)
xanthommatin (CHEBI:16550) is conjugate acid of xanthommatin(1−) (CHEBI:57808)
Incoming 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
Xanthommatin KEGG COMPOUND
Manual Xref Database
C01969 KEGG COMPOUND
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Registry Numbers Types Sources
521-58-4 CAS Registry Number KEGG COMPOUND
521-58-4 CAS Registry Number ChemIDplus
633700 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
3092804 PubMed citation Europe PMC
4631600 PubMed citation Europe PMC
5798588 PubMed citation Europe PMC
6662501 PubMed citation Europe PMC
6802132 PubMed citation Europe PMC
7470018 PubMed citation Europe PMC
751645 PubMed citation Europe PMC
828051 PubMed citation Europe PMC
Last Modified
11 November 2011