bacilysin (CHEBI:72687)

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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.

Supplier Information

Download	Molfile XML SDF

Formula

C12H18N2O5

Net Charge

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 (Bronsted 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 )

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-[(1R,2S,6R)-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

Last Modified

03 March 2015