CHEBI:67778 - (E)-Adrienyne, [rel(threo)]-

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ChEBI Name (E)-Adrienyne, [rel(threo)]-
ChEBI ID CHEBI:67778
Definition A natural product found in Laurencia marilzae.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H21BrCl2O
Net Charge 0
Average Mass 368.13700
Monoisotopic Mass 366.01528
InChI InChI=1S/C15H21BrCl2O/c1-3-5-6-11-15(19)14(18)10-8-7-9-13(17)12(16)4-2/h1,5-8,12-15,19H,4,9-11H2,2H3/b6-5+,8-7-/t12-,13-,14-,15-/m1/s1
InChIKey GGOGTQISOAHDFM-OOCSKMCJSA-N
SMILES CC[C@@H](Br)[C@H](Cl)C\C=C/C[C@@H](Cl)[C@H](O)C\C=C\C#C
Metabolite of Species Details
Laurencia marilzae (NCBI:txid99905) CH2Cl2/MeOH(1:1,v/v) extract of fresh alga and E-isomer of Adrienyne See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (E)-Adrienyne, [rel(threo)]- (CHEBI:67778) has role metabolite (CHEBI:25212)
(E)-Adrienyne, [rel(threo)]- (CHEBI:67778) is a alcohol (CHEBI:30879)
(E)-Adrienyne, [rel(threo)]- (CHEBI:67778) is a organochlorine compound (CHEBI:36683)
Citation Waiting for Citations Type Source
21338119 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:secondary alcohol(CHEBI:35681); ISA:organobromine compound(CHEBI:37141); ISA:organochlorine compound(CHEBI:36683);