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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (3E,9Z,12Z)-7-Chloro-3,9,12-pentadecatrien-1-yn-6-ol
ChEBI ID CHEBI:205426
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H21ClO
Net Charge 0
Average Mass 252.780
Monoisotopic Mass 252.12809
InChI InChI=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
InChIKey KGHXRSHHDUOLQI-DJUMBGJCSA-N
SMILES Cl[C@@H]([C@H](O)C/C=C\C#C)C/C=C\C/C=C\CC
ChEBI Ontology
Outgoing (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 Xref Database
78439932 ChemSpider
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