EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:32385 - mycomycin

ChEBI IDCHEBI:32385
ChEBI Namemycomycin
Stars
DefinitionA straight-chain polyunsaturated fatty acid comprising tridecanoic acid having (E)- and (Z)-double bonds at positions 3 and 5 respectively, an allenic system at positions 7-9 and triple bonds at positions 10 and 12.
Last Modified2 May 2013
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC13H10O2
Net Charge0
Average Mass198.221
Monoisotopic Mass198.06808
SMILESC#CC#CC=C=C/C=C\C=C\CC(=O)O
InChIInChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h1,5,7-11H,12H2,(H,14,15)/b9-8-,11-10+
InChIKeyAPNPVBXEWGCCLU-QNRZBPGKSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
mycomycin (CHEBI:32385) is a acetylenic fatty acid (CHEBI:25380)
mycomycin (CHEBI:32385) is a allenic fatty acid (CHEBI:22355)
mycomycin (CHEBI:32385) is a long-chain fatty acid (CHEBI:15904)
mycomycin (CHEBI:32385) is a polyunsaturated fatty acid (CHEBI:26208)
mycomycin (CHEBI:32385) is a straight-chain fatty acid (CHEBI:59202)
mycomycin (CHEBI:32385) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
(3E,5Z)-trideca-3,5,7,8-tetraene-10,12-diynoic acid
Synonyms  Source
antiblastinChemIDplus
Trideca-3t,5c,7,8-tetraen-10,12-diinsäureChEBI
trideca-3t,5c,7,8-tetraene-10,12-diynoic acidChEBI
3t5c7,8,10a12a-13:6ChEBI
3t5c7,8,10a12a-C13:6ChEBI
Registry NumbersSources
Reaxys:1708048Reaxys
CAS:544-51-4ChemIDplus
Citations