CHEBI:172574 - 8-iso-15-keto-PGE2

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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 8-iso-15-keto-PGE2
ChEBI ID CHEBI:172574
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O5
Net Charge 0
Average Mass 350.455
Monoisotopic Mass 350.20932
InChI InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17+,19+/m0/s1
InChIKey YRTJDWROBKPZNV-RSNVZYGJSA-N
SMILES O[C@H]1[C@@H]([C@@H](C(=O)C1)C/C=C\CCCC(O)=O)/C=C/C(=O)CCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 8-iso-15-keto-PGE2 (CHEBI:172574) is a prostanoid (CHEBI:26347)
IUPAC Name
(Z)-7-[(1S,2R,3R)-3-hydroxy-5-oxo-2-[(E)-3-oxooct-1-enyl]cyclopentyl]hept-5-enoic acid
Manual Xrefs Databases
17216193 ChemSpider
LMFA03110009 LIPID MAPS
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