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CHEBI:66137 - kalimantacin C

ChEBI IDCHEBI:66137
ChEBI Namekalimantacin C
Stars
DefinitionA fatty acid derivative isolated from the fermentation broth of Alcaligenes sp. YL-02632S. It is an antibiotic with antibacterial activity.
Last Modified6 March 2014
DownloadsMolfile
FormulaC29H46N2O7
Net Charge0
Average Mass534.694
Monoisotopic Mass534.33050
SMILESC=C(CC/C=C\C=C\CC(C)CC(=O)CC(O)CNC(=O)CC(C)OC(N)=O)CC(C)C/C(C)=C/C(=O)O
InChIInChI=1S/C29H46N2O7/c1-20(13-22(3)14-23(4)16-28(35)36)11-9-7-6-8-10-12-21(2)15-25(32)18-26(33)19-31-27(34)17-24(5)38-29(30)37/h6-8,10,16,21-22,24,26,33H,1,9,11-15,17-19H2,2-5H3,(H2,30,37)(H,31,34)(H,35,36)/b7-6-,10-8+,23-16+
InChIKeyVWVAAKIWHSCMIW-YHKKGOIFSA-N
Species of MetaboliteComponentSourceComments
Alcaligenes sp. (ncbitaxon:512) - PubMed (8621352) Strain: YL 02632S
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
kalimantacin C (CHEBI:66137) has role antibacterial agent (CHEBI:33282)
kalimantacin C (CHEBI:66137) has role antimicrobial agent (CHEBI:33281)
kalimantacin C (CHEBI:66137) has role bacterial metabolite (CHEBI:76969)
kalimantacin C (CHEBI:66137) is a carbamate ester (CHEBI:23003)
kalimantacin C (CHEBI:66137) is a fatty acid derivative (CHEBI:61697)
kalimantacin C (CHEBI:66137) is a monocarboxylic acid (CHEBI:25384)
kalimantacin C (CHEBI:66137) is a monocarboxylic acid amide (CHEBI:29347)
IUPAC Name 
(2E,10Z,12E)-20-{[3-(carbamoyloxy)butanoyl]amino}-19-hydroxy-3,5,15-trimethyl-7-methylidene-17-oxoicosa-2,10,12-trienoic acid
Registry NumbersSources
Reaxys:7523170Reaxys
Citations