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CHEBI:168746 - 15R-PGA2 methyl ester, 15-acetate

ChEBI IDCHEBI:168746
ChEBI Name15R-PGA2 methyl ester, 15-acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O5
Net Charge0
Average Mass390.520
Monoisotopic Mass390.24062
SMILESCCCCC[C@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)OC(C)=O
InChIInChI=1S/C23H34O5/c1-4-5-8-11-20(28-18(2)24)16-14-19-15-17-22(25)21(19)12-9-6-7-10-13-23(26)27-3/h6,9,14-17,19-21H,4-5,7-8,10-13H2,1-3H3/b9-6-,16-14+/t19-,20+,21+/m0/s1
InChIKeyKURMKPDMINCWHJ-QPBHISEGSA-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)
15R-PGA2 methyl ester, 15-acetate (CHEBI:168746) is a prostanoid (CHEBI:26347)
IUPAC Name 
methyl (Z)-7-[(1R,2S)-2-[(E,3R)-3-acetyloxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate
Manual XrefsDatabases
LMFA03010202LIPID MAPS
24822071ChemSpider