CHEBI:3978 - cyanin

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ChEBI Name cyanin
ChEBI ID CHEBI:3978
Definition An anthocyanin cation that is cyanidin(1+) carrying two β-D-glucosyl residues at positions 3 and 5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000066103386
Download Molfile XML SDF
Formula C27H31O16
Net Charge +1
Average Mass 611.52544
Monoisotopic Mass 611.16066
InChI InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
InChIKey RDFLLVCQYHQOBU-ZOTFFYTFSA-O
SMILES OC[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)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cyanin (CHEBI:3978) has functional parent cyanidin cation (CHEBI:27843)
cyanin (CHEBI:3978) has role plant metabolite (CHEBI:76924)
cyanin (CHEBI:3978) is a β-D-glucoside (CHEBI:22798)
cyanin (CHEBI:3978) is a anthocyanin cation (CHEBI:35218)
cyanin (CHEBI:3978) is conjugate acid of cyanin betaine (CHEBI:71511)
Incoming cyanin chloride (CHEBI:38021) has part cyanin (CHEBI:3978)
cyanin betaine (CHEBI:71511) is conjugate base of cyanin (CHEBI:3978)
IUPAC Name
3,5-bis(β-D-glucopyranosyloxy)-3',4',7-trihydroxyflavylium
Synonyms Sources
2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-7-hydroxychromenylium-5-yl β-D-glucopyranoside IUPAC
Cyanidin 3,5-di-O-glucoside KEGG COMPOUND
Cyanidin 3,5-diglucoside LIPID MAPS
Cyanidin 3,5-O-diglucoside KEGG COMPOUND
Cyanin KEGG COMPOUND
Manual Xrefs Databases
C00002378 KNApSAcK
C08639 KEGG COMPOUND
CPD-7138 MetaCyc
LMPK12010113 LIPID MAPS
View more database links
Registry Numbers Types Sources
1417221 Reaxys Registry Number Reaxys
20905-74-2 CAS Registry Number KEGG COMPOUND
Citations Types Sources
20971893 PubMed citation Europe PMC
22334328 PubMed citation Europe PMC
22872589 PubMed citation Europe PMC
23735880 PubMed citation Europe PMC
Last Modified
28 July 2014