CHEBI:165318 - 1a,1b-Dihomo-PGJ2

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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 1a,1b-Dihomo-PGJ2
ChEBI ID CHEBI:165318
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000038148193
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Formula C22H34O4
Net Charge 0
Average Mass 362.510
Monoisotopic Mass 362.24571
InChI InChI=1S/C22H34O4/c1-2-3-8-12-19(23)15-16-20-18(14-17-21(20)24)11-9-6-4-5-7-10-13-22(25)26/h6,9,14-20,23H,2-5,7-8,10-13H2,1H3,(H,25,26)/b9-6-,16-15+/t18-,19-,20+/m0/s1
InChIKey BVXBMWOFDUUSEM-VADMTLSYSA-N
SMILES O=C1[C@@H]([C@@H](C/C=C\CCCCCC(O)=O)C=C1)/C=C/[C@@H](O)CCCCC
ChEBI Ontology
Outgoing 1a,1b-Dihomo-PGJ2 (CHEBI:165318) is a prostanoid (CHEBI:26347)
IUPAC Name
(Z)-9-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]non-7-enoic acid
Manual Xrefs Databases
17220776 ChemSpider
LMFA03010158 LIPID MAPS
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