CHEBI:177402 - 6-Prostaglandin I1

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 6-Prostaglandin I1
ChEBI ID CHEBI:177402
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O5
Net Charge 0
Average Mass 354.487
Monoisotopic Mass 354.24062
InChI InChI=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
InChIKey RJADQDXZYFCVHV-CBIPHORWSA-N
SMILES O1[C@@]2([C@@]([C@H]([C@H](O)C2)/C=C/[C@@H](O)CCCCC)(C[C@@H]1CCCCC(O)=O)[H])[H]
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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
Manual Xref Database
29341922 ChemSpider
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