EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212724 - Trichophycin E

ChEBI IDCHEBI:212724
ChEBI NameTrichophycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31BrCl2O2
Net Charge0
Average Mass454.276
Monoisotopic Mass452.08845
SMILESC[C@H](CC[C@@H](O)C/C(=C/Cl)CCCC#CBr)C[C@@H](C)[C@@H](O)C/C=C/Cl
InChIInChI=1S/C20H31BrCl2O2/c1-16(13-17(2)20(25)8-6-12-22)9-10-19(24)14-18(15-23)7-4-3-5-11-21/h6,12,15-17,19-20,24-25H,3-4,7-10,13-14H2,1-2H3/b12-6+,18-15+/t16-,17-,19-,20+/m1/s1
InChIKeyZCYDJOFQQAFCJI-NZIPSRDRSA-N
Species of MetaboliteComponentSourceComments
Trichodesmiumspecies (ncbitaxon:1207) - PubMed (30280904)
ChEBI Ontology
Outgoing Relation(s)
Trichophycin E (CHEBI:212724) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(E,4S,5R,7R,10R,12E)-17-bromo-1-chloro-12-(chloromethylidene)-5,7-dimethylheptadec-1-en-16-yne-4,10-diol
Manual XrefsDatabases
70951831ChemSpider