CHEBI:95045 - 7-[(1R,2R,3R)-3-hydroxy-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-[(1R,2R,3R)-3-hydroxy-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid
ChEBI ID CHEBI:95045
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H36O5
Net Charge 0
Average Mass 380.519
Monoisotopic Mass 380.25627
InChI InChI=1S/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/t16-,17-,19-,20-/m1/s1
InChIKey QAOBBBBDJSWHMU-HNBVOPMISA-N
SMILES CCCCC(C)(C)[C@@H](C=C[C@H]1[C@@H](CC(=O)[C@@H]1CC=CCCCC(=O)O)O)O
ChEBI Ontology
Outgoing 7-[(1R,2R,3R)-3-hydroxy-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid (CHEBI:95045) is a prostanoid (CHEBI:26347)
Manual Xref Database
LSM-6287 LINCS
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