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CHEBI:71623 - bacillaene

ChEBI IDCHEBI:71623
ChEBI Namebacillaene
Stars
DefinitionA polyene antibiotic obtained from Bacillus subtilis 168 that is active against a broad spectrum of bacteria. It is notoriously unstable.
Last Modified28 April 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H48N2O6
Net Charge0
Average Mass580.766
Monoisotopic Mass580.35124
SMILESC/C(=C/C=C/C=C/C(C)C(=O)O)NC(=O)CC(O)/C(C)=C\C=C/C=C(C)/C=C/C=C\C=C\CNC(=O)C(O)CC(C)C
InChIInChI=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-
InChIKeyKDQMRYTZELJKOB-MAHROAIDSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:11289554Reaxys
Citations