CHEBI:89568 - bicyclo-PGE2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bicyclo-PGE2
ChEBI ID CHEBI:89568
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H30O4
Net Charge 0
Average Mass 334.451
Monoisotopic Mass 334.21441
InChI InChI=1S/C20H30O4/c1-2-3-8-16-17-13-19(22)15(14(17)11-12-18(16)21)9-6-4-5-7-10-20(23)24/h4,6,14-17H,2-3,5,7-13H2,1H3,(H,23,24)/b6-4-/t14-,15-,16?,17+/m1/s1
InChIKey CGCZPIJMGKLVTQ-PAJBVNRRSA-N
SMILES CCCCC1[C@H]2CC(=O)[C@H](C/C=C\CCCC(O)=O)[C@H]2CCC1=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
ChEBI Ontology
Outgoing bicyclo-PGE2 (CHEBI:89568) is a prostanoid (CHEBI:26347)
Synonyms Sources
(5Z)-7-[(1R,3aS,7aS)-4-butyl-2,5-dioxo-octahydro-1H-inden-1-yl]hept-5-enoic acid HMDB
(5Z,11beta)-9,15-Dioxo-11,16-cycloprost-5-en-1-oic acid HMDB
(Z)-7-[(1R,3aS,7aS)-4-butyl-2,5-dioxo-3,3a,4,6,7,7a-hexahydro-1H-inden-1-yl]hept-5-enoic acid HMDB
Manual Xref Database
HMDB0060054 HMDB
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Citation Waiting for Citations Type Source
20671299 PubMed citation Europe PMC