EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205426 - (3E,9Z,12Z)-7-Chloro-3,9,12-pentadecatrien-1-yn-6-ol

ChEBI IDCHEBI:205426
ChEBI Name(3E,9Z,12Z)-7-Chloro-3,9,12-pentadecatrien-1-yn-6-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H21ClO
Net Charge0
Average Mass252.785
Monoisotopic Mass252.12809
SMILESC#C/C=C\C[C@@H](O)[C@H](Cl)C/C=C\C/C=C\CC
InChIInChI=1S/C15H21ClO/c1-3-5-7-8-9-11-12-14(16)15(17)13-10-6-4-2/h2,5-7,9-11,14-15,17H,3,8,12-13H2,1H3/b7-5-,10-6-,11-9-/t14-,15-/m1/s1
InChIKeyKGHXRSHHDUOLQI-DJUMBGJCSA-N
ChEBI Ontology
Outgoing Relation(s)
(3E,9Z,12Z)-7-Chloro-3,9,12-pentadecatrien-1-yn-6-ol (CHEBI:205426) is a alcohol (CHEBI:30879)
(3E,9Z,12Z)-7-Chloro-3,9,12-pentadecatrien-1-yn-6-ol (CHEBI:205426) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
(3Z,6R,7R,9Z,12Z)-7-chloropentadeca-3,9,12-trien-1-yn-6-ol
Manual XrefsDatabases
78439932ChemSpider