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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:63496 - digoxigenin monodigitoxoside
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ChEBI Name
digoxigenin monodigitoxoside
ChEBI ID
CHEBI:63496
Definition
A steroid saponin that consists of digoxigenin having a digitoxosyl residue attached at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C29H44O8
Net Charge
0
Average Mass
520.65490
Monoisotopic Mass
520.30362
InChI
InChI=1S/C29H44O8/c1-
15-
26(33)
22(30)
13-
25(36-
15)
37-
18-
6-
8-
27(2)
17(11-
18)
4-
5-
20-
21(27)
12-
23(31)
28(3)
19(7-
9-
29(20,28)
34)
16-
10-
24(32)
35-
14-
16/h10,15,17-
23,25-
26,30-
31,33-
34H,4-
9,11-
14H2,1-
3H3/t15-
,17-
,18+,19-
,20-
,21+,22+,23-
,25+,26-
,27+,28+,29+/m1/s1
InChIKey
JFSXBMIFXZFKHD-ZDDLGXCGSA-N
SMILES
[H]
[C@]
12CC[C@]
3([H]
)
[C@]
([H]
)
(C[C@@H]
(O)
[C@]
4(C)
[C@H]
(CC[C@]
34O)
C3=CC(=O)
OC3)
[C@@]
1(C)
CC[C@@H]
(C2)
O[C@H]
1C[C@H]
(O)
[C@H]
(O)
[C@@H]
(C)
O1
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
saponin
)
Application
(s):
cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
(via
cardiac glycoside
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
digoxigenin monodigitoxoside (
CHEBI:63496
)
has functional parent
digoxigenin (
CHEBI:42098
)
digoxigenin monodigitoxoside (
CHEBI:63496
)
has role
metabolite (
CHEBI:25212
)
digoxigenin monodigitoxoside (
CHEBI:63496
)
is a
cardenolide glycoside (
CHEBI:38092
)
digoxigenin monodigitoxoside (
CHEBI:63496
)
is a
digitoxoside (
CHEBI:36800
)
digoxigenin monodigitoxoside (
CHEBI:63496
)
is a
monosaccharide derivative (
CHEBI:63367
)
digoxigenin monodigitoxoside (
CHEBI:63496
)
is a
steroid saponin (
CHEBI:61655
)
IUPAC Name
(3β,5β,12β)-
3-
[(2,6-
dideoxy-
β-
D
-
ribo
-
hexopyranosyl)oxy]-
12,14-
dihydroxycard-
20(22)-
enolide
Synonyms
Sources
3β-
(β-
D
-
ribo
-
2,6-
dideoxy-
hexopyranosyloxy)-
12β,14-
dihydroxy-
5β,14β-
card-
20(22)-
enolide
ChEBI
Digoxigenin-mono(digitoxoside)
ChemIDplus
Digoxigeninmonodigitoxoside
ChemIDplus
monodigitoxosyldigoxigenin
ChEBI
Registry Numbers
Types
Sources
5352-63-6
CAS Registry Number
ChemIDplus
68482
Reaxys Registry Number
Reaxys
Citations
Types
Sources
1778535
PubMed citation
Europe PMC
3745397
PubMed citation
Europe PMC
4777701
PubMed citation
Europe PMC
596321
PubMed citation
Europe PMC
6380268
PubMed citation
Europe PMC
7373535
PubMed citation
Europe PMC
7739045
PubMed citation
Europe PMC
Last Modified
12 April 2013