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CHEBI:61098 - sorgoleone(1−)

ChEBI IDCHEBI:61098
ChEBI Namesorgoleone(1−)
Stars
ASCII Namesorgoleone(1-)
DefinitionAn organic anion which is obtained by removal of a proton from the hydroxy group of sorgoleone. The major form of sorgoleone at pH 7.3.
Last Modified25 January 2011
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H29O4
Net Charge-1
Average Mass357.470
Monoisotopic Mass357.20713
SMILESC=CC/C=C\C/C=C\CCCCCCCC1=C([O-])C(=O)C=C(OC)C1=O
InChIInChI=1S/C22H30O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h3,5-6,8-9,17,24H,1,4,7,10-16H2,2H3/p-1/b6-5-,9-8-
InChIKeyFGWRUVXUQWGLOX-AFJQJTPPSA-M
ChEBI Ontology
Outgoing Relation(s)
sorgoleone(1−) (CHEBI:61098) is a organic anion (CHEBI:25696)
sorgoleone(1−) (CHEBI:61098) is conjugate base of sorgoleone (CHEBI:61117)
Incoming Relation(s)
sorgoleone (CHEBI:61117) is conjugate acid of sorgoleone(1−) (CHEBI:61098)
IUPAC Name 
4-methoxy-3,6-dioxo-2-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]cyclohexa-1,4-dien-1-olate
Synonym  Source
sorgoleone anionChEBI
UniProt Name  Source
sorgoleoneUniProt
Citations