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ChEBI
> Main
CHEBI:68117 - JBIR-96
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ChEBI Ontology
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ChEBI Name
JBIR-96
ChEBI ID
CHEBI:68117
Definition
A natural product found in
Streptomyces sp. RI051-SDHV6
.
Stars
This entity has been manually annotated by a third party.
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Formula
C27H39N5O11S
Net Charge
0
Average Mass
641.69000
Monoisotopic Mass
641.23668
InChI
InChI=1S/C27H39N5O11S/c1-
14(2)
21(30-
19(34)
12-
17-
8-
6-
5-
7-
9-
17)
26(38)
29-
18(13-
44(40,41)
42)
24(36)
32-
23-
16(4)
43-
20(35)
10-
11-
28-
25(37)
22(15(3)
33)
31-
27(23)
39/h5-
9,14-
16,18,21-
23,33H,10-
13H2,1-
4H3,(H,28,37)
(H,29,38)
(H,30,34)
(H,31,39)
(H,32,36)
(H,40,41,42)
/t15-
,16+,18+,21-
,22+,23-
/m0/s1
InChIKey
IGQWJTOITVEYBJ-GMYCQRIPSA-N
SMILES
[H]
[C@@]
1(NC(=O)
[C@@H]
(NC(=O)
[C@@H]
(CS(O)
(=O)
=O)
NC(=O)
[C@@H]
(NC(=O)
Cc2ccccc2)
C(C)
C)
[C@@H]
(C)
OC(=O)
CCNC1=O)
[C@H]
(C)
O
Metabolite of Species
Details
Streptomyces
sp.
cies RI051-SDHV6
(NCBI:txid867680)
Found in mycelium
(BTO:0001436)
. The mycelial cake was extracted with 80% aqueous acetone 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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
JBIR-96 (
CHEBI:68117
)
is a
peptide (
CHEBI:16670
)
Citation
Type
Source
21491925
PubMed citation
Europe PMC
Last Modified
08 October 2014
General Comment
2014-10-17
Suggested Classification: ISA:peptide(CHEBI:16670); ISA:N-acyl-amino acid(CHEBI:51569); ISA:amino acid amide(CHEBI:22475); ISA:acetamides(CHEBI:22160); ISA:aralkylamine(CHEBI:18000); ISA:fatty amide(CHEBI:29348); ISA:alkanesulfonic acid(CHEBI:47901); ISA:organosulfonic acid(CHEBI:33551); ISA:sulfone(CHEBI:35850); ISA:amino alcohol(CHEBI:22478); ISA:lactone(CHEBI:25000); ISA:carboxamide(CHEBI:37622); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:lactam(CHEBI:24995); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:carboxylic acid(CHEBI:33575); ISA:carbonyl compound(CHEBI:36586);