CHEBI:187201 - 8-iso-PGF2alpha III-EA

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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 8-iso-PGF2alpha III-EA
ChEBI ID CHEBI:187201
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004655431
Download Molfile XML SDF
Formula C22H39NO5
Net Charge 0
Average Mass 397.556
Monoisotopic Mass 397.28282
InChI InChI=1S/C22H39NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18-,19+,20-,21+/m0/s1
InChIKey XCVCLIRZZCGEMU-JJPTUHNDSA-N
SMILES O[C@@H]1[C@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCC)C/C=C\CCCC(=O)NCCO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 8-iso-PGF2alpha III-EA (CHEBI:187201) is a prostanoid (CHEBI:26347)
IUPAC Name
(Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N-(2-hydroxyethyl)hept-5-enamide
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24841884 ChemSpider
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