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CHEBI:184175 - 1a,1b-dihomo-PGE1

ChEBI IDCHEBI:184175
ChEBI Name1a,1b-dihomo-PGE1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H38O5
Net Charge0
Average Mass382.541
Monoisotopic Mass382.27192
SMILESCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCCC(=O)O
InChIInChI=1S/C22H38O5/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/h14-15,17-19,21,23,25H,2-13,16H2,1H3,(H,26,27)/b15-14+/t17-,18+,19+,21+/m0/s1
InChIKeyYMDDELUTDBQEMT-QZCLESEGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
1a,1b-dihomo-PGE1 (CHEBI:184175) is a prostanoid (CHEBI:26347)
IUPAC Name 
9-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]nonanoic acid
Manual XrefsDatabases
4446225ChemSpider
LMFA03010108LIPID MAPS