EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206043 - 4-<(3R,4S)-3-hydroxy-3,7-dimethylocta-1,6-dienyl> (Z)-9-octadecenoate

ChEBI IDCHEBI:206043
ChEBI Name4-<(3R,4S)-3-hydroxy-3,7-dimethylocta-1,6-dienyl> (Z)-9-octadecenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H50O3
Net Charge0
Average Mass434.705
Monoisotopic Mass434.37600
SMILESC=C[C@@](C)(O)[C@H](CC=C(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C28H50O3/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(29)31-26(24-23-25(3)4)28(5,30)7-2/h7,14-15,23,26,30H,2,6,8-13,16-22,24H2,1,3-5H3/b15-14-/t26-,28+/m0/s1
InChIKeyJJTYTBCWZXNSDI-ZSETUDKCSA-N
Species of MetaboliteComponentSourceComments
Dictyophora indusiata (ncbitaxon:146777) - DOI (10.1016/s0031-9422(98)00630-x)
ChEBI Ontology
Outgoing Relation(s)
4-<(3R,4S)-3-hydroxy-3,7-dimethylocta-1,6-dienyl> (Z)-9-octadecenoate (CHEBI:206043) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
[(3R,4S)-3-hydroxy-3,7-dimethylocta-1,6-dien-4-yl] (Z)-octadec-9-enoate
Manual XrefsDatabases
78437308ChemSpider