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

ChEBI IDCHEBI:185711
ChEBI Name1a,1b-dihomo-PGE2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O5
Net Charge0
Average Mass380.525
Monoisotopic Mass380.25627
SMILESCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCCCC(=O)O
InChIInChI=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
InChIKeyPNKJEXAWAIJTRO-QKIVIXBWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
17220774ChemSpider
LMFA03010155LIPID MAPS