CHEBI:165301 - 11-Deoxy-PGE2

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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 11-Deoxy-PGE2
ChEBI ID CHEBI:165301
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H32O4
Net Charge 0
Average Mass 336.472
Monoisotopic Mass 336.23006
InChI InChI=1S/C20H32O4/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/h4,7,12,14,16-18,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1
InChIKey CTHZICXYLKQMKI-FOSBLDSVSA-N
SMILES O=C1[C@@H]([C@H](CC1)/C=C/[C@@H](O)CCCCC)C/C=C\CCCC(O)=O
ChEBI Ontology
Outgoing 11-Deoxy-PGE2 (CHEBI:165301) is a prostanoid (CHEBI:26347)
IUPAC Name
(Z)-7-[(1R,2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Manual Xrefs Databases
4446189 ChemSpider
LMFA03010061 LIPID MAPS
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