EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168762 - Avocadyne 1-acetate

Default Structure
ChEBI IDCHEBI:168762
ChEBI NameAvocadyne 1-acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H34O4
Net Charge0
Average Mass326.477
Monoisotopic Mass326.24571
SMILESC#CCCCCCCCCCCCC(O)CC(O)COC(C)=O
InChIInChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,18-19,21-22H,4-16H2,2H3
InChIKeyJAKAZHIACKJNNB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Avocadyne 1-acetate (CHEBI:168762) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
2,4-dihydroxyheptadec-16-ynyl acetate
Manual XrefsDatabases
3173029ChemSpider
HMDB0031048HMDB
LMFA05000644LIPID MAPS