CHEBI:182984 - 15-Methyl-15S-Prostaglandin E1

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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 15-Methyl-15S-Prostaglandin E1
ChEBI ID CHEBI:182984
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H36O5
Net Charge 0
Average Mass 368.514
Monoisotopic Mass 368.25627
InChI InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h12,14,16-17,19,23,26H,3-11,13,15H2,1-2H3,(H,24,25)/b14-12+/t16-,17-,19-,21+/m1/s1
InChIKey OMNFCPCBKCERJP-XBZFKEOQSA-N
SMILES O[C@H]1[C@@H]([C@@H](CCCCCCC(O)=O)C(=O)C1)/C=C/[C@@](O)(CCCCC)C
Metabolite of Species Details
Cucumis melo (NCBI:txid3656) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing 15-Methyl-15S-Prostaglandin E1 (CHEBI:182984) is a prostanoid (CHEBI:26347)
IUPAC Name
7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
Manual Xrefs Databases
4446184 ChemSpider
LMFA03010056 LIPID MAPS
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