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ChEBI
> Main
CHEBI:69404 - pestalamide A
Main
ChEBI Ontology
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ChEBI Name
pestalamide A
ChEBI ID
CHEBI:69404
Definition
A pyranone that is (2
S
)-2-methyl-4-oxo-4-{[(4-oxo-4
H
-pyran-3-yl)carbonyl]amino}butanoic acid substituted by a benzyl group at position 6. It has been isolated from
Aspergillus niger
.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:64472
Supplier Information
Download
Molfile
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Molfile
Formula
C18H17NO6
Net Charge
0
Average Mass
343.331
Monoisotopic Mass
343.10559
InChI
InChI=1S/C18H17NO6/c1-
11(18(23)
24)
7-
16(21)
19-
17(22)
14-
10-
25-
13(9-
15(14)
20)
8-
12-
5-
3-
2-
4-
6-
12/h2-
6,9-
11H,7-
8H2,1H3,(H,23,24)
(H,19,21,22)
/t11-
/m0/s1
InChIKey
JBQPQUZBAGHRDN-NSHDSACASA-N
SMILES
C1=CC=CC(CC2=CC(C(=CO2)C(=O)NC(C[C@@H](C(O)=O)C)=O)=O)=C1
Metabolite of Species
Details
Aspergillus niger
(NCBI:txid5061)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould,
Aspergillus
.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
pestalamide A (
CHEBI:69404
)
has role
Aspergillus
metabolite (
CHEBI:76956
)
pestalamide A (
CHEBI:69404
)
is a
4-pyranones (
CHEBI:131906
)
pestalamide A (
CHEBI:69404
)
is a
dicarboximide (
CHEBI:35356
)
pestalamide A (
CHEBI:69404
)
is a
monocarboxylic acid (
CHEBI:25384
)
IUPAC Name
(2
S
)-4-{[(6-benzyl-4-oxo-4
H
-pyran-3-yl)carbonyl]amino}-2-methyl-4-oxobutanoic acid
Synonyms
Sources
4-[(6-benzyl-3-hydroxy-6
H
-furo[2,3-
b
]pyrrol-4-yl)oxy]-2-methyl-4-oxobutyric acid
ChEBI
tensidol B
ChEBI
Registry Number
Type
Source
19412737
Reaxys Registry Number
Reaxys
Citations
Types
Sources
17080684
PubMed citation
Europe PMC
20461106
PubMed citation
Europe PMC
21854017
PubMed citation
Europe PMC
Last Modified
21 October 2016