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CHEBI:66135 - kalimantacin A

ChEBI IDCHEBI:66135
ChEBI Namekalimantacin A
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
FormulaC30H48N2O7
Net Charge0
Average Mass548.721
Monoisotopic Mass548.34615
SMILESC=C(CC/C=C\C=C\CC(C)CC(=O)CC(O)CNC(=O)C(C)C(C)OC(N)=O)CC(C)C/C(C)=C/C(=O)O
InChIInChI=1S/C30H48N2O7/c1-20(14-22(3)15-23(4)17-28(35)36)12-10-8-7-9-11-13-21(2)16-26(33)18-27(34)19-32-29(37)24(5)25(6)39-30(31)38/h7-9,11,17,21-22,24-25,27,34H,1,10,12-16,18-19H2,2-6H3,(H2,31,38)(H,32,37)(H,35,36)/b8-7-,11-9+,23-17+
InChIKeyGENAAYFYLGYPIQ-JOPGMDTFSA-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:
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.
ChEBI Ontology
Outgoing Relation(s)
kalimantacin A (CHEBI:66135) has role antibacterial agent (CHEBI:33282)
kalimantacin A (CHEBI:66135) has role antimicrobial agent (CHEBI:33281)
kalimantacin A (CHEBI:66135) has role bacterial metabolite (CHEBI:76969)
kalimantacin A (CHEBI:66135) is a carbamate ester (CHEBI:23003)
kalimantacin A (CHEBI:66135) is a fatty acid derivative (CHEBI:61697)
kalimantacin A (CHEBI:66135) is a monocarboxylic acid (CHEBI:25384)
kalimantacin A (CHEBI:66135) is a monocarboxylic acid amide (CHEBI:29347)
IUPAC Name 
(2E,10Z,12E)-20-{[3-(carbamoyloxy)-2-methylbutanoyl]amino}-19-hydroxy-3,5,15-trimethyl-7-methylidene-17-oxoicosa-2,10,12-trienoic acid
Registry NumbersSources
Reaxys:7523387Reaxys
CAS:174513-95-2ChemIDplus
Citations