Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:3978 - cyanin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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