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CHEBI:90784 - aurachin B(1−)

ChEBI IDCHEBI:90784
ChEBI Nameaurachin B(1−)
Stars
ASCII Nameaurachin B(1-)
DefinitionAn organic anion that is the conjugate base of aurachin B, obtained by deprotonation of the 3-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified21 August 2023
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H32NO2
Net Charge-1
Average Mass378.536
Monoisotopic Mass378.24385
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c([O-])c(C)[n+]([O-])c2ccccc12
InChIInChI=1S/C25H33NO2/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-23-22-14-6-7-15-24(22)26(28)21(5)25(23)27/h6-7,10,12,14-16,27H,8-9,11,13,17H2,1-5H3/p-1/b19-12+,20-16+
InChIKeyZNSLRZHNFFXDSE-YEFHWUCQSA-M
ChEBI Ontology
Outgoing Relation(s)
aurachin B(1−) (CHEBI:90784) is a organic anion (CHEBI:25696)
aurachin B(1−) (CHEBI:90784) is conjugate base of aurachin B (CHEBI:131528)
Incoming Relation(s)
aurachin B (CHEBI:131528) is conjugate acid of aurachin B(1−) (CHEBI:90784)
IUPAC Name 
2-methyl-1-oxo-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1λ5-quinolin-3-olate
UniProt Name  Source
aurachin BUniProt
Manual XrefsDatabases
CPD-15910MetaCyc
Citations