bacilysin (CHEBI:72687)

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CHEBI:72687 - bacilysin

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ChEBI ID	CHEBI:72687
ChEBI Name	bacilysin
Stars
Definition	A non-ribosomally synthesised dipeptide that consists of L-alanyl and anticapsin units linked by a peptide bond.
Last Modified	3 March 2015
Submitter	Steve
Downloads	Molfile

Formula	C12H18N2O5
Net Charge	0
Average Mass	270.285
Monoisotopic Mass	270.12157
SMILES	C[C@H](N)C(=O)N[C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C(=O)O
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

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	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.

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
Incoming Relation(s)	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	Source
Antibiotic KM 208	ChemIDplus
N-L-Alanyl-3-(5-oxo-7-oxabicyclo(4.1.0)hept-2-yl)-L-alanine	ChemIDplus
Tetaine	ChemIDplus

Manual Xrefs	Databases
EP2179652	Patent

Registry Numbers	Sources
Reaxys:6637452	Reaxys
CAS:29393-20-2	ChemIDplus

Citations