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

ChEBI IDCHEBI:187201
ChEBI Name8-iso-PGF2alpha III-EA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H39NO5
Net Charge0
Average Mass397.556
Monoisotopic Mass397.28282
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)NCCO)[C@@H](O)C[C@H]1O
InChIInChI=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
InChIKeyXCVCLIRZZCGEMU-JJPTUHNDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
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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24841884ChemSpider
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