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CHEBI:142264 - isopersin

ChEBI IDCHEBI:142264
ChEBI Nameisopersin
Stars
DefinitionA long-chain primary fatty alcohol that is henicosan-1-ol which carries an acetoxy group at position 2, keto group at position 4, and two double bonds at positions 12 and 15.
Last Modified2 November 2018
Submittermwilliams
DownloadsMolfile
FormulaC23H40O4
Net Charge0
Average Mass380.569
Monoisotopic Mass380.29266
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)C[C@H](CO)OC(C)=O
InChIInChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)19-23(20-24)27-21(2)25/h7-8,10-11,23-24H,3-6,9,12-20H2,1-2H3/b8-7-,11-10-/t23-/m1/s1
InChIKeyZAIRPZJGPNIHRZ-RHNLGMIQSA-N
Species of MetaboliteComponentSourceComments
Persea americana (ncbitaxon:3435) - PubMed (9748393) Isolated from the oil of idioblast cells
ChEBI Ontology
Outgoing Relation(s)
isopersin (CHEBI:142264) is a acetate ester (CHEBI:47622)
isopersin (CHEBI:142264) is a ketone (CHEBI:17087)
isopersin (CHEBI:142264) is a long-chain primary fatty alcohol (CHEBI:77396)
IUPAC Name 
(2R,12Z,15Z)-1-hydroxy-4-oxohenicosa-12,15-dien-2-yl acetate
Manual XrefsDatabases
HMDB0032735HMDB
FDB010696FooDB
LMFA05000670LIPID MAPS
Registry NumbersSources
Reaxys:25324050Reaxys
CAS:219948-37-5ChemIDplus
Citations