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> Main
CHEBI:4823 - ergosine
Main
ChEBI Ontology
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ChEBI Name
ergosine
ChEBI ID
CHEBI:4823
Definition
An ergot alkaloid isolated from the fungus
Epichloe typhina
.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Wikipedia
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Read full article at Wikipedia
Formula
C30H37N5O5
Net Charge
0
Average Mass
547.64548
Monoisotopic Mass
547.27947
InChI
InChI=1S/C30H37N5O5/c1-
16(2)
11-
23-
27(37)
34-
10-
6-
9-
24(34)
30(39)
35(23)
28(38)
29(3,40-
30)
32-
26(36)
18-
12-
20-
19-
7-
5-
8-
21-
25(19)
17(14-
31-
21)
13-
22(20)
33(4)
15-
18/h5,7-
8,12,14,16,18,22-
24,31,39H,6,9-
11,13,15H2,1-
4H3,(H,32,36)
/t18-
,22-
,23+,24+,29-
,30+/m1/s1
InChIKey
NESVMZOPWPCFAU-ZPRCMDFASA-N
SMILES
[H]
[C@@]
12Cc3c[nH]
c4cccc(C1=C[C@H]
(CN2C)
C(=O)
N[C@]
1(C)
O[C@]
2(O)
N([C@@H]
(CC(C)
C)
C(=O)
N5CCC[C@@]
25[H]
)
C1=O)
c34
Metabolite of Species
Details
Epichloe typhina
(NCBI:txid5113)
See:
PubMed
Roles Classification
Biological Role
(s):
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ergosine (
CHEBI:4823
)
has parent hydride
ergotaman (
CHEBI:36185
)
ergosine (
CHEBI:4823
)
has role
fungal metabolite (
CHEBI:76946
)
ergosine (
CHEBI:4823
)
is a
ergot alkaloid (
CHEBI:23943
)
IUPAC Name
(5'α)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-3',6',18-trioxoergotaman
Synonyms
Sources
(5'α)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)ergotaman-3',6',18-trione
ChemIDplus
(5'α)-12'-hydroxy-5'-isobutyl-2'-methyl-3',6',18-trioxoergotaman
IUPAC
Ergosine
KEGG COMPOUND
Manual Xrefs
Databases
C00001723
KNApSAcK
C09167
KEGG COMPOUND
Ergosine
Wikipedia
View more database links
Registry Numbers
Types
Sources
102152
Reaxys Registry Number
Reaxys
102152
Beilstein Registry Number
Beilstein
561-94-4
CAS Registry Number
KEGG COMPOUND
561-94-4
CAS Registry Number
ChemIDplus
Citations
Types
Sources
22968686
PubMed citation
Europe PMC
2870157
PubMed citation
Europe PMC
447932
PubMed citation
Europe PMC
6895228
PubMed citation
Europe PMC
Last Modified
12 February 2015