CHEBI:59958 - (3S,6E)-nerolidol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3S,6E)-nerolidol
ChEBI ID CHEBI:59958
ChEBI ASCII Name (3S,6E)-nerolidol
Definition The (3S,6E)-isomer of nerolidol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C15H26O
Net Charge 0
Average Mass 222.36630
Monoisotopic Mass 222.19837
InChI InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m1/s1
InChIKey FQTLCLSUCSAZDY-ATGUSINASA-N
SMILES CC(C)=CCC\C(C)=C\CC[C@](C)(O)C=C
ChEBI Ontology
Outgoing (3S,6E)-nerolidol (CHEBI:59958) is a (6E)-nerolidol (CHEBI:141283)
(3S,6E)-nerolidol (CHEBI:59958) is a nerolidol (CHEBI:7524)
IUPAC Name
(3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Synonyms Sources
(3S,6E)-nerolidol UniProt
(3S,6E)-Nerolidol KEGG COMPOUND
(S-(E))-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol ChemIDplus
Nerolidol KEGG COMPOUND
Manual Xrefs Databases
C00003166 KNApSAcK
C09704 KEGG COMPOUND
LMPR0103010005 LIPID MAPS
View more database links
Registry Numbers Types Sources
1119-38-6 CAS Registry Number ChemIDplus
5248349 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
10482672 PubMed citation SUBMITTER
Last Modified
28 July 2014