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CHEBI:177402 - 6-Prostaglandin I1

ChEBI IDCHEBI:177402
ChEBI Name6-Prostaglandin I1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O5
Net Charge0
Average Mass354.487
Monoisotopic Mass354.24062
SMILES[H][C@]12C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@@]1([H])C[C@H](CCCCC(=O)O)O2
InChIInChI=1S/C20H34O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h10-11,14-19,21-22H,2-9,12-13H2,1H3,(H,23,24)/b11-10+/t14-,15-,16+,17+,18+,19-/m0/s1
InChIKeyRJADQDXZYFCVHV-CBIPHORWSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
6-Prostaglandin I1 (CHEBI:177402) is a prostanoid (CHEBI:26347)
IUPAC Name 
5-[(2S,3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]uran-2-yl]pentanoic acid
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29341922ChemSpider