EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133365 - pelargonin

ChEBI IDCHEBI:133365
ChEBI Namepelargonin
Stars
DefinitionAn anthocyanidin glycoside that is pelargonidin in which the two phenolic hydrogens at positions 3 and 5 have been replaced by β-D-glucosyl residues.
Secondary ChEBI IDCHEBI:7951
Last Modified27 February 2017
SubmitterKeeva
DownloadsMolfile
FormulaC27H31O15
Net Charge+1
Average Mass595.530
Monoisotopic Mass595.16575
SMILESOC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
InChIKeySLCKJKWFULXZBD-ZOTFFYTFSA-O
Wikipedia
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS376)
Phoenix dactylifera (ncbitaxon:42345) fruit (BTO:0000486) PubMed (23132311)
Punica granatum (ncbitaxon:22663)
fruit (BTO:0000486) DOI (10.1007/s00217-007-0799-1)
flower (BTO:0000469) DOI (10.1016/j.foodchem.2011.01.077)
Monarda fistulosa (ncbitaxon:39344) flower (BTO:0000469) DOI (10.1021/jf00020a009)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
pelargonin (CHEBI:133365) has functional parent pelargonidin (CHEBI:25863)
pelargonin (CHEBI:133365) has role plant metabolite (CHEBI:76924)
pelargonin (CHEBI:133365) is a anthocyanidin glycoside (CHEBI:71583)
pelargonin (CHEBI:133365) is a polyphenol (CHEBI:26195)
pelargonin (CHEBI:133365) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
3-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-5-yl β-D-glucopyranoside
Synonyms  Source
Pelargonidin 3,5-di-beta-D-glucosideKEGG COMPOUND
pelargonidin 3,5-di-O-β-glucosideChEBI
pelargonidin 3,5-O-diglucosideChEBI
pelargonidin 3,5-di-O-β-D-glucosideChEBI
Pelargonidin 3,5-di-beta-D-glucopyranosideHMDB
Pelargonidin 3,5-diglucosideHMDB
Manual XrefsDatabases
C08725KEGG COMPOUND
C00002387KNApSAcK
390369ChemSpider
PelargoninWikipedia
LMPK12010015LIPID MAPS
HMDB0033681HMDB
Registry NumbersSources
Reaxys:3827597Reaxys
CAS:17334-58-6KEGG COMPOUND
Citations