CHEBI:71623 - bacillaene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Supplier Information
Download Molfile XML SDF
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 (Bronsted 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
(3E,5E,7Z)-8-({(4Z,6Z,8E,10E,12Z,14E)-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 Waiting for 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