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ChEBI
> Main
CHEBI:72687 - bacilysin
Main
ChEBI Ontology
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ChEBI Name
bacilysin
ChEBI ID
CHEBI:72687
Definition
A non-ribosomally synthesised dipeptide that consists of
L
-alanyl and anticapsin units linked by a peptide bond.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C12H18N2O5
Net Charge
0
Average Mass
270.28170
Monoisotopic Mass
270.12157
InChI
InChI=1S/C12H18N2O5/c1-
5(13)
11(16)
14-
7(12(17)
18)
4-
6-
2-
3-
8(15)
10-
9(6)
19-
10/h5-
7,9-
10H,2-
4,13H2,1H3,(H,14,16)
(H,17,18)
/t5-
,6-
,7-
,9+,10-
/m0/s1
InChIKey
XFOUAXMJRHNTOP-PFQXTLEHSA-N
SMILES
C[C@H](N)C(=O)N[C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)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):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via
peptide antibiotic
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
bacilysin (
CHEBI:72687
)
has role
metabolite (
CHEBI:25212
)
bacilysin (
CHEBI:72687
)
is a
alicyclic ketone (
CHEBI:36132
)
bacilysin (
CHEBI:72687
)
is a
dipeptide (
CHEBI:46761
)
bacilysin (
CHEBI:72687
)
is a
epoxide (
CHEBI:32955
)
bacilysin (
CHEBI:72687
)
is a
peptide antibiotic (
CHEBI:25903
)
bacilysin (
CHEBI:72687
)
is tautomer of
bacilysin zwitterion (
CHEBI:84311
)
Incoming
bacilysin zwitterion (
CHEBI:84311
)
is tautomer of
bacilysin (
CHEBI:72687
)
IUPAC Name
L
-
alanyl-
3-
[(1
R
,2
S
,6
R
)-
5-
oxo-
7-
oxabicyclo[4.1.0]hept-
2-
yl]-
L
-
alanine
Synonyms
Sources
Antibiotic KM 208
ChemIDplus
N-L-Alanyl-3-(5-oxo-7-oxabicyclo(4.1.0)hept-2-yl)-L-alanine
ChemIDplus
Tetaine
ChemIDplus
Manual Xref
Database
EP2179652
Patent
View more database links
Registry Numbers
Types
Sources
29393-20-2
CAS Registry Number
ChemIDplus
6637452
Reaxys Registry Number
Reaxys
Citations
Types
Sources
15609023
PubMed citation
Europe PMC
19061923
PubMed citation
Europe PMC
19776011
PubMed citation
Europe PMC
20052993
PubMed citation
Europe PMC
20070370
PubMed citation
Europe PMC
21709425
PubMed citation
Europe PMC
21948839
PubMed citation
Europe PMC
22483065
PubMed citation
Europe PMC
22677979
PubMed citation
Europe PMC
23317005
PubMed citation
Europe PMC
3121591
PubMed citation
Europe PMC
4205876
PubMed citation
Europe PMC
Last Modified
03 March 2015