CHEBI:133365 - pelargonin

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ChEBI Name pelargonin
Definition An anthocyanidin glycoside that is pelargonidin in which the two phenolic hydrogens at positions 3 and 5 have been replaced by β-D-glucosyl residues.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7951
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Formula C27H31O15
Net Charge +1
Average Mass 595.527
Monoisotopic Mass 595.16575
InChI InChI=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
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)=CC(O)=CC3=[O+]C2C5=CC=C(O)C=C5)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Punica granatum (NCBI:txid22663) Found in flower (BTO:0000469). See: DOI
Punica granatum (NCBI:txid22663) Found in fruit (BTO:0000486). See: DOI
Monarda fistulosa (NCBI:txid39344) Found in flower (BTO:0000469). See: DOI
Phoenix dactylifera (NCBI:txid42345) Found in fruit (BTO:0000486). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing pelargonin (CHEBI:133365) has functional parent pelargonidin (CHEBI:25863)
pelargonin (CHEBI:133365) has role plant metabolite (CHEBI:76924)
pelargonin (CHEBI:133365) is a β-D-glucoside (CHEBI:22798)
pelargonin (CHEBI:133365) is a anthocyanidin glycoside (CHEBI:71583)
pelargonin (CHEBI:133365) is a polyphenol (CHEBI:26195)
3-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-5-yl β-D-glucopyranoside
Synonyms Sources
Pelargonidin 3,5-di-beta-D-glucopyranoside HMDB
Pelargonidin 3,5-di-beta-D-glucoside KEGG COMPOUND
pelargonidin 3,5-di-O-β-D-glucoside ChEBI
pelargonidin 3,5-di-O-β-glucoside ChEBI
Pelargonidin 3,5-diglucoside HMDB
pelargonidin 3,5-O-diglucoside ChEBI
Manual Xrefs Databases
390369 ChemSpider
C00002387 KNApSAcK
HMDB0033681 HMDB
Pelargonin Wikipedia
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Registry Numbers Types Sources
17334-58-6 CAS Registry Number KEGG COMPOUND
3827597 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10637045 PubMed citation Europe PMC
16395794 PubMed citation Europe PMC
21936496 PubMed citation Europe PMC
23132311 PubMed citation Europe PMC
23216001 PubMed citation Europe PMC
24493900 PubMed citation Europe PMC
25650327 PubMed citation Europe PMC
IND20370875 Agricola citation Europe PMC
IND44068587 Agricola citation Europe PMC
IND44185850 Agricola citation Europe PMC
IND44517122 Agricola citation Europe PMC
IND500657886 Agricola citation Europe PMC
Last Modified
27 February 2017