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ChEBI
> Main
CHEBI:133787 - pyranonigrin E
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ChEBI Name
pyranonigrin E
ChEBI ID
CHEBI:133787
Definition
A member of the class of pyranopyrroles with formula C
18
H
21
NO
4
, originally isolated from
Aspergillus niger
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Julian Brandl
Supplier Information
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Formula
C18H21NO4
Net Charge
0
Average Mass
315.364
Monoisotopic Mass
315.14706
InChI
InChI=1S/C18H21NO4/c1-
4-
5-
6-
7-
8-
9-
10-
11-
13-
15(20)
16(21)
14-
17(23-
13)
12(2)
19(3)
18(14)
22/h8-
11,20H,2,4-
7H2,1,3H3/b9-
8+,11-
10+
InChIKey
ITJJIMKGOLMIJY-BNFZFUHLSA-N
SMILES
C1(C2=C(OC(=C1O)/C=C/C=C/CCCCC)C(N(C2=O)C)=C)=O
Metabolite of Species
Details
Aspergillus niger ATCC 1015
(NCBI:txid380704)
of strain AnKW2 See:
PubMed
Roles Classification
Biological Role
(s):
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould,
Aspergillus
.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
pyranonigrin E (
CHEBI:133787
)
has role
Aspergillus
metabolite (
CHEBI:76956
)
pyranonigrin E (
CHEBI:133787
)
has role
marine metabolite (
CHEBI:76507
)
pyranonigrin E (
CHEBI:133787
)
is a
γ-lactam (
CHEBI:74222
)
pyranonigrin E (
CHEBI:133787
)
is a
cyclic ketone (
CHEBI:3992
)
pyranonigrin E (
CHEBI:133787
)
is a
enol (
CHEBI:33823
)
pyranonigrin E (
CHEBI:133787
)
is a
pyranopyrrole (
CHEBI:133874
)
IUPAC Name
3-
hydroxy-
6-
methyl-
7-
methylidene-
2-
[(1
E
,3
E
)-
nona-
1,3-
dien-
1-
yl]-
6,7-
dihydropyrano[2,3-
c
]pyrrole-
4,5-
dione
Registry Number
Type
Source
27553302
Reaxys Registry Number
Reaxys
Citations
Types
Sources
24084681
PubMed citation
Europe PMC
24106156
PubMed citation
Europe PMC
Last Modified
01 November 2016