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CHEBI:144777 - pelargonidin(1−)

ChEBI IDCHEBI:144777
ChEBI Namepelargonidin(1−)
Stars
ASCII Namepelargonidin(1-)
DefinitionAn organic anion obtained by selective deprotonation of the 3- and 5-hydroxy groups of pelargonidin; major species at pH 7.3.
Last Modified7 September 2022
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H9O5
Net Charge-1
Average Mass269.232
Monoisotopic Mass269.04555
SMILES[O-]c1cc2c([O-])cc(O)cc2[o+]c1-c1ccc(O)cc1
InChIInChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19)/p-1
InChIKeyXVFMGWDSJLBXDZ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
pelargonidin(1−) (CHEBI:144777) is a anthocyanidin betaine (CHEBI:143576)
pelargonidin(1−) (CHEBI:144777) is a organic anion (CHEBI:25696)
pelargonidin(1−) (CHEBI:144777) is conjugate base of pelargonidin (CHEBI:25863)
Incoming Relation(s)
pelargonidin 3-O-β-D-galactoside betaine (CHEBI:193099) has functional parent pelargonidin(1−) (CHEBI:144777)
pelargonidin (CHEBI:25863) is conjugate acid of pelargonidin(1−) (CHEBI:144777)
IUPAC Name 
7-hydroxy-2-(4-hydroxyphenyl)chromenium-3,5-bis(olate)
Synonym  Source
7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-3,5-bis(olate)IUPAC
UniProt Name  Source
pelargonidinUniProt
Manual XrefsDatabases
PELARGONIDIN-CMPDMetaCyc