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CHEBI:4700 - Dopaxanthin

ChEBI IDCHEBI:4700
ChEBI NameDopaxanthin
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC18H18N2O8
Net Charge0
Average Mass390.348
Monoisotopic Mass390.10632
SMILESO=C(O)C1=C/C(=C/C=N\[C@@H](Cc2ccc(O)c(O)c2)C(=O)O)C[C@@H](C(=O)O)N1
InChIInChI=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
InChIKeyYSNPSKZBOQYUHH-AFUNOPLTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22624806)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
Dopaxanthin (CHEBI:4700) is a catecholamine (CHEBI:33567)
Synonyms  Source
DopaxanthinKEGG COMPOUND
3-Dihydropyridine-2,6-dicarboxylic acidHMDB
(2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acidHMDB
Manual XrefsDatabases
C08543KEGG COMPOUND
C00001587KNApSAcK
CPD-8672MetaCyc
HMDB0012221HMDB
Registry NumbersSources
CAS:71199-31-0KEGG COMPOUND
Citations