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CHEBI:226487 - AL072

ChEBI IDCHEBI:226487
ChEBI NameAL072
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H76O5
Net Charge0
Average Mass649.054
Monoisotopic Mass648.56928
SMILESCCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC(C)CC(C)CC
InChIInChI=1S/C41H76O5/c1-5-7-8-9-10-11-12-13-14-15-16-20-23-26-29-32-40(43)45-35-39(42)36-46-41(44)33-30-27-24-21-18-17-19-22-25-28-31-38(4)34-37(3)6-2/h10-11,13-14,37-39,42H,5-9,12,15-36H2,1-4H3/b11-10+,14-13+
InChIKeyWFTOOGFFSZCCNW-IWCZYTNJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7592020)
ChEBI Ontology
Outgoing Relation(s)
AL072 (CHEBI:226487) is a lipid (CHEBI:18059)
IUPAC Name 
[2-hydroxy-3-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl] 14,16-dimethyloctadecanoate
Manual XrefsDatabases
8071470ChemSpider