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> Main
CHEBI:133365 - pelargonin
Main
ChEBI Ontology
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ChEBI Name
pelargonin
ChEBI ID
CHEBI:133365
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An anthocyanidin glycoside that is pelargonidin in which the two phenolic hydrogens at positions 3 and 5 have been replaced by β-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
Supplier Information
Download
Molfile
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Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
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Read full article at Wikipedia
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
InChIKey
SLCKJKWFULXZBD-ZOTFFYTFSA-O
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.
View more via ChEBI Ontology
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
)
IUPAC Name
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
C08725
KEGG COMPOUND
HMDB0033681
HMDB
LMPK12010015
LIPID MAPS
Pelargonin
Wikipedia
View more database links
Registry Numbers
Types
Sources
17334-58-6
CAS Registry Number
KEGG COMPOUND
3827597
Reaxys Registry Number
Reaxys
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