CHEBI:184988 - 5-trans-PGA2

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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 5-trans-PGA2
ChEBI ID CHEBI:184988
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O4
Net Charge 0
Average Mass 334.456
Monoisotopic Mass 334.21441
InChI InChI=1S/C20H30O4/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/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4+,14-12+/t16-,17-,18+/m0/s1
InChIKey MYHXHCUNDDAEOZ-JLGPIWRLSA-N
SMILES O=C1[C@@H]([C@H](C=C1)/C=C/[C@@H](O)CCCCC)C/C=C/CCCC(O)=O
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 5-trans-PGA2 (CHEBI:184988) is a prostanoid (CHEBI:26347)
IUPAC Name
(E)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
Manual Xrefs Databases
4446218 ChemSpider
LMFA03010100 LIPID MAPS
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