CHEBI:4700 - Dopaxanthin

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name Dopaxanthin ChEBI ID CHEBI:4700 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C18H18N2O8 C18H18N2O8 Net Charge 0 Average Mass 390.345 Monoisotopic Mass 390.10632 InChI InChI=1S/C18H18N2O8/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/h1-4,6,8,11,13,20-22H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4-/t11-,13-/m0/s1 InChIKey YSNPSKZBOQYUHH-AFUNOPLTSA-N SMILES OC(=O)[C@H](Cc1ccc(O)c(O)c1)\N=C/C=C1C[C@H](NC(=C\1)C(O)=O)C(O)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): molecular messenger (via monoamine molecular messenger ) View more via ChEBI Ontology ChEBI Ontology Outgoing Dopaxanthin (CHEBI:4700) is a catecholamine (CHEBI:33567) Synonyms Sources (2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid HMDB 3-Dihydropyridine-2,6-dicarboxylic acid HMDB Dopaxanthin KEGG COMPOUND Manual Xrefs Databases C00001587 KNApSAcK C08543 KEGG COMPOUND CPD-8672 MetaCyc HMDB0012221 HMDB View more database links Registry Number Type Source 71199-31-0 CAS Registry Number KEGG COMPOUND Citation Type Source 22624806 PubMed citation Europe PMC Last Modified 23 October 2015