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ChEBI
> Main
CHEBI:71623 - bacillaene
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ChEBI Ontology
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ChEBI Name
bacillaene
ChEBI ID
CHEBI:71623
Definition
A polyene antibiotic obtained from
Bacillus subtilis
168 that is active against a broad spectrum of bacteria. It is notoriously unstable.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C34H48N2O6
Net Charge
0
Average Mass
580.75470
Monoisotopic Mass
580.35124
InChI
InChI=1S/C34H48N2O6/c1-
25(2)
23-
31(38)
33(40)
35-
22-
16-
9-
7-
8-
11-
17-
26(3)
18-
14-
15-
19-
27(4)
30(37)
24-
32(39)
36-
29(6)
21-
13-
10-
12-
20-
28(5)
34(41)
42/h7-
21,25,28,30-
31,37-
38H,22-
24H2,1-
6H3,(H,35,40)
(H,36,39)
(H,41,42)
/b8-
7-
,13-
10+,15-
14-
,16-
9+,17-
11+,20-
12+,26-
18+,27-
19-
,29-
21-
InChIKey
KDQMRYTZELJKOB-MAHROAIDSA-N
SMILES
CC(C)CC(O)C(=O)NC\C=C\C=C/C=C/C(C)=C/C=C\C=C(\C)C(O)CC(=O)N\C(C)=C/C=C/C=C/C(C)C(O)=O
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):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via
polyene antibiotic
)
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
bacillaene (
CHEBI:71623
)
has role
antibacterial agent (
CHEBI:33282
)
bacillaene (
CHEBI:71623
)
has role
antimicrobial agent (
CHEBI:33281
)
bacillaene (
CHEBI:71623
)
has role
bacterial metabolite (
CHEBI:76969
)
bacillaene (
CHEBI:71623
)
is a
enamine (
CHEBI:47989
)
bacillaene (
CHEBI:71623
)
is a
monocarboxylic acid amide (
CHEBI:29347
)
bacillaene (
CHEBI:71623
)
is a
polyene antibiotic (
CHEBI:26177
)
bacillaene (
CHEBI:71623
)
is a
polyketide (
CHEBI:26188
)
bacillaene (
CHEBI:71623
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
(3
E
,5
E
,7
Z
)-
8-
({(4
Z
,6
Z
,8
E
,10
E
,12
Z
,14
E
)-
3-
hydroxy-
16-
[(2-
hydroxy-
4-
methylpentanoyl)amino]-
4,9-
dimethylhexadeca-
4,6,8,10,12,14-
hexaenoyl}amino)-
2-
methylnona-
3,5,7-
trienoic acid
Registry Number
Type
Source
11289554
Reaxys Registry Number
Reaxys
Citations
Types
Sources
17234808
PubMed citation
Europe PMC
17482575
PubMed citation
Europe PMC
17886826
PubMed citation
Europe PMC
18723688
PubMed citation
Europe PMC
20087918
PubMed citation
Europe PMC
21505242
PubMed citation
Europe PMC
7592068
PubMed citation
Europe PMC
Last Modified
28 April 2014