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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:69921 - JBIR-57
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ChEBI Ontology
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ChEBI Name
JBIR-57
ChEBI ID
CHEBI:69921
Definition
A natural product found in
Streptomyces
species.
Stars
This entity has been manually annotated by a third party.
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Formula
C18H28N4O5
Net Charge
0
Average Mass
380.43870
Monoisotopic Mass
380.20597
InChI
InChI=1S/C18H28N4O5/c1-
8(2)
7-
12(15(23)
20-
11(6)
18(26)
27)
21-
17(25)
14-
10(5)
19-
16(24)
13(22-
14)
9(3)
4/h8-
9,11-
12H,7H2,1-
6H3,(H,19,24)
(H,20,23)
(H,21,25)
(H,26,27)
/t11-
,12+/m0/s1
InChIKey
UWRBCOGQVDTYGV-NWDGAFQWSA-N
SMILES
CC(C)C[C@@H](NC(=O)c1nc(C(C)C)c(=O)[nH]c1C)C(=O)N[C@@H](C)C(O)=O
Metabolite of Species
Details
Streptomyces
sp.
(NCBI:txid1931)
Strain isolated from marine sponge of strain SpD081030SC 03 See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
JBIR-57 (
CHEBI:69921
)
has role
metabolite (
CHEBI:25212
)
JBIR-57 (
CHEBI:69921
)
is a
peptide (
CHEBI:16670
)
Synonym
Source
N-[(6-Isopropyl-3-methyl-5-oxo-4,5-dihydro-2-pyrazinyl)carbonyl]-D-leucyl-L-alanine
ChEBI
Citation
Type
Source
21728289
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:N-acyl-amino acid(CHEBI:51569); ISA:amino acid amide(CHEBI:22475); ISA:alpha-amino acid(CHEBI:33704); ISA:pyrazines(CHEBI:38314); ISA:carboxamide(CHEBI:37622); ISA:aralkylamine(CHEBI:18000); ISA:fatty amide(CHEBI:29348); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enamine(CHEBI:47989); ISA:lactam(CHEBI:24995); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);