CHEBI:185711 - 1a,1b-dihomo-PGE2

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ChEBI Name 1a,1b-dihomo-PGE2
ChEBI ID CHEBI:185711
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000033955779
Download Molfile XML SDF
Formula C22H36O5
Net Charge 0
Average Mass 380.525
Monoisotopic Mass 380.25627
InChI InChI=1S/C22H36O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h6,9,14-15,17-19,21,23,25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,21+/m0/s1
InChIKey PNKJEXAWAIJTRO-QKIVIXBWSA-N
SMILES O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCCCC(O)=O)/C=C/[C@@H](O)CCCCC
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 1a,1b-dihomo-PGE2 (CHEBI:185711) is a prostanoid (CHEBI:26347)
IUPAC Name
(Z)-9-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]non-7-enoic acid
Manual Xrefs Databases
17220774 ChemSpider
LMFA03010155 LIPID MAPS
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