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ChEBI
> Main
CHEBI:134007 - pelargonidin 3-
O
-sophoroside
Main
ChEBI Ontology
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ChEBI Name
pelargonidin 3-
O
-sophoroside
ChEBI ID
CHEBI:134007
ChEBI ASCII Name
pelargonidin 3-O-sophoroside
Definition
An anthocyanidin 3-
O
-sophoroside derived from pelargonidin
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:80437
Supplier Information
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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(33)
21(35)
23(37)
26(40-
17)
42-
25-
22(36)
20(34)
18(9-
29)
41-
27(25)
39-
16-
7-
13-
14(32)
5-
12(31)
6-
15(13)
38-
24(16)
10-
1-
3-
11(30)
4-
2-
10/h1-
7,17-
23,25-
29,33-
37H,8-
9H2,(H2-
,30,31,32)
/p+1/t17-
,18-
,19-
,20-
,21+,22+,23-
,25-
,26+,27-
/m1/s1
InChIKey
HASVPNDDKSXPGU-WGNLCONDSA-O
SMILES
O(C1=CC=2C(O)
=CC(=CC2[O+]
=C1C=3C=CC(=CC3)
O)
O)
[C@@H]
4O[C@H]
(CO)
[C@H]
([C@@H]
([C@H]
4O[C@H]
5[C@@H]
([C@@H]
(O)
[C@@H]
([C@H]
(O5)
CO)
O)
O)
O)
O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
MetaboLights Study
Rattus norvegicus
(NCBI:txid10116)
See:
MetaboLights Study
Tropaeolum tuberosum
(NCBI:txid147035)
Found in tuber
(BTO:0001400)
. See:
PubMed
Tropaeolum majus
(NCBI:txid4020)
Found in flower
(BTO:0000469)
. See:
DOI
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.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (
Rattus norvegicus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
pelargonidin 3-
O
-sophoroside (
CHEBI:134007
)
has functional parent
pelargonidin (
CHEBI:25863
)
pelargonidin 3-
O
-sophoroside (
CHEBI:134007
)
has role
mouse metabolite (
CHEBI:75771
)
pelargonidin 3-
O
-sophoroside (
CHEBI:134007
)
has role
plant metabolite (
CHEBI:76924
)
pelargonidin 3-
O
-sophoroside (
CHEBI:134007
)
has role
rat metabolite (
CHEBI:86264
)
pelargonidin 3-
O
-sophoroside (
CHEBI:134007
)
is a
anthocyanidin 3-
O
-sophoroside (
CHEBI:71509
)
IUPAC Name
5,7-
dihydroxy-
2-
(4-
hydroxyphenyl)-
1-
benzopyran-
1-
ium-
3-
yl 2-
O
-
β-
D
-
glucopyranosyl-
β-
D
-
glucopyranoside
Synonym
Source
Pelargonidin 3-sophoroside
KNApSAcK
Manual Xrefs
Databases
C00006636
KNApSAcK
C16305
KEGG COMPOUND
CPD-7843
MetaCyc
HMDB0033679
HMDB
View more database links
Registry Numbers
Types
Sources
34365-81-6
CAS Registry Number
KNApSAcK
6556769
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16968067
PubMed citation
Europe PMC
IND23278696
Agricola citation
Europe PMC
IND44149874
Agricola citation
Europe PMC
IND44750389
Agricola citation
Europe PMC
Last Modified
16 May 2017