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ChEBI
> Main
CHEBI:134224 - lucibufagin C
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ChEBI Ontology
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ChEBI Name
lucibufagin C
ChEBI ID
CHEBI:134224
Definition
A defensive steroid lactone that is produced by males of the species
Photinus pyralis
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C28H36O10
Net Charge
0
Average Mass
532.581
Monoisotopic Mass
532.23085
InChI
InChI=1S/C28H36O10/c1-
14(29)
37-
19-
11-
25(3)
22-
18(7-
9-
27(25,34)
12-
20(19)
38-
15(2)
30)
28(35)
10-
8-
17(16-
5-
6-
21(31)
36-
13-
16)
26(28,4)
24(33)
23(22)
32/h5-
6,13,17-
20,22-
23,32,34-
35H,7-
12H2,1-
4H3/t17-
,18-
,19+,20-
,22-
,23+,25-
,26+,27+,28+/m1/s1
InChIKey
DVEVNJSTCHVUOO-AXGBFFCYSA-N
SMILES
C=1(C=CC(OC1)
=O)
[C@@H]
2[C@]
3(C([C@H]
([C@@]
4([C@]
5(C[C@@H]
([C@@H]
(C[C@]
5(CC[C@]
4([C@]
3(CC2)
O)
[H]
)
O)
OC(=O)
C)
OC(=O)
C)
C)
[H]
)
O)
=O)
C
Metabolite of Species
Details
Photinus pyralis
(NCBI:txid7054)
See:
MetaboLights Study
Photinus pyralis
(NCBI:txid7054)
See:
PubMed
ChEBI Ontology
Outgoing
lucibufagin C (
CHEBI:134224
)
has parent hydride
5β-bufanolide (
CHEBI:20661
)
lucibufagin C (
CHEBI:134224
)
is a
11α-hydroxy steroid (
CHEBI:19129
)
lucibufagin C (
CHEBI:134224
)
is a
12-oxo steroid (
CHEBI:48070
)
lucibufagin C (
CHEBI:134224
)
is a
14β-hydroxy steroid (
CHEBI:36862
)
lucibufagin C (
CHEBI:134224
)
is a
2-pyranones (
CHEBI:75885
)
lucibufagin C (
CHEBI:134224
)
is a
5β-hydroxy steroid (
CHEBI:38195
)
lucibufagin C (
CHEBI:134224
)
is a
secondary α-hydroxy ketone (
CHEBI:2468
)
lucibufagin C (
CHEBI:134224
)
is a
steroid ester (
CHEBI:47880
)
lucibufagin C (
CHEBI:134224
)
is a
steroid lactone (
CHEBI:26766
)
IUPAC Name
2β,3β-bis(acetyloxy)-5β,11α,14-trihydroxy-12-oxobufa-20,22-dienolide
Synonym
Source
(2β,3β,5β,11α)-2,3-bis(acetyloxy)-5,11,14-trihydroxy-12-oxobufa-20,22-dienolide
IUPAC
Registry Number
Type
Source
1415624
Reaxys Registry Number
Reaxys
Citations
Types
Sources
28004739
PubMed citation
Europe PMC
7816804
PubMed citation
Europe PMC
Last Modified
06 February 2018