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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 15R-PGA2 methyl ester, 15-acetate
ChEBI ID CHEBI:168746
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H34O5
Net Charge 0
Average Mass 390.520
Monoisotopic Mass 390.24062
InChI InChI=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
InChIKey KURMKPDMINCWHJ-QPBHISEGSA-N
SMILES O([C@H](CCCCC)\C=C\[C@@H]1[C@@H](C/C=C\CCCC(OC)=O)C(=O)C=C1)C(=O)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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
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