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CHEBI:190149 - 8-iso-PGA1

ChEBI IDCHEBI:190149
ChEBI Name8-iso-PGA1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)O
InChIInChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18-/m0/s1
InChIKeyBGKHCLZFGPIKKU-DRSVPBQLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) Serum (BTO:0000133) MetaboLights (MTBLS4478)
ChEBI Ontology
Outgoing Relation(s)
8-iso-PGA1 (CHEBI:190149) is a prostanoid (CHEBI:26347)
IUPAC Name 
7-[(1S,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid
Manual XrefsDatabases
8PGPDBeChem
LMFA03110008LIPID MAPS
HMDB0002236HMDB
4975993ChemSpider