CHEBI:186852 - PGF2alpha-11-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 PGF2alpha-11-acetate
ChEBI ID CHEBI:186852
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H36O6
Net Charge 0
Average Mass 396.524
Monoisotopic Mass 396.25119
InChI InChI=1S/C22H36O6/c1-3-4-7-10-17(24)13-14-19-18(11-8-5-6-9-12-22(26)27)20(25)15-21(19)28-16(2)23/h5,8,13-14,17-21,24-25H,3-4,6-7,9-12,15H2,1-2H3,(H,26,27)/b8-5-,14-13+/t17-,18+,19+,20-,21+/m0/s1
InChIKey HQOFFMPYTVAOFE-RBFHUNFKSA-N
SMILES O([C@H]1[C@@H]([C@H]([C@@H](O)C1)C/C=C\CCCC(O)=O)/C=C/[C@@H](O)CCCCC)C(=O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing PGF2alpha-11-acetate (CHEBI:186852) is a prostanoid (CHEBI:26347)
IUPAC Name
(Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
Manual Xrefs Databases
4446214 ChemSpider
LMFA03010096 LIPID MAPS
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