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CHEBI:73167 - concanamycin A

Default Structure
ChEBI IDCHEBI:73167
ChEBI Nameconcanamycin A
Stars
DefinitionA concanamycin in which the lactone ring contains 4 double bonds and is substituted by 4 methyl groups, 2 hydroxy groups, 2 methoxy groups and an ethyl group.
Last Modified3 August 2014
SubmitterJohnny Lloyd
DownloadsMolfile
FormulaC46H75NO14
Net Charge0
Average Mass866.099
Monoisotopic Mass865.51876
SMILES[H][C@]1([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O[C@H]3C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O3)[C@H](C)[C@@H](/C=C/C)O2)OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]1OC
InChIInChI=1S/C46H75NO14/c1-13-16-34-28(7)37(58-38-22-33(48)43(31(10)57-38)60-45(47)53)23-46(54,61-34)30(9)41(51)29(8)42-35(55-11)18-15-17-24(3)19-26(5)39(49)32(14-2)40(50)27(6)20-25(4)21-36(56-12)44(52)59-42/h13,15-18,20-21,26-35,37-43,48-51,54H,14,19,22-23H2,1-12H3,(H2,47,53)/b16-13+,18-15+,24-17+,25-20+,36-21-/t26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,37-,38+,39+,40-,41-,42-,43-,46-/m1/s1
InChIKeyDJZCTUVALDDONK-HQMSUKCRSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor  An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of H+-transporting two-sector ATPase inhibitor (EC 3.6.3.14).
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
concanamycin A (CHEBI:73167) has role antifungal agent (CHEBI:35718)
concanamycin A (CHEBI:73167) has role EC 3.6.3.14 (H+-transporting two-sector ATPase) inhibitor (CHEBI:73214)
concanamycin A (CHEBI:73167) has role metabolite (CHEBI:25212)
concanamycin A (CHEBI:73167) is a carbamate ester (CHEBI:23003)
concanamycin A (CHEBI:73167) is a concanamycin (CHEBI:73195)
IUPAC Name 
(5R)-3-O-(4-O-carbamoyl-2,6-dideoxy-β-D-arabino-hexopyranosyl)-2,4-dideoxy-1-C-{(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl}-4-methyl-5-[(1E)-prop-1-en-1-yl]-α-D-threo-pentopyranose
Synonym  Source
folimycinChEBI
Manual XrefsDatabases
C15761KEGG COMPOUND
Registry NumbersSources
CAS:80890-47-7ChemIDplus
CAS:80890-47-7KEGG COMPOUND
Citations