CHEBI:165325 - 9-Deoxy-9-methylene-16,16-dimethyl -PGE2

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ChEBI Name 9-Deoxy-9-methylene-16,16-dimethyl -PGE2
ChEBI ID CHEBI:165325
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H38O4
Net Charge 0
Average Mass 378.553
Monoisotopic Mass 378.27701
InChI InChI=1S/C23H38O4/c1-5-6-15-23(3,4)21(25)14-13-19-18(17(2)16-20(19)24)11-9-7-8-10-12-22(26)27/h7,9,13-14,18-21,24-25H,2,5-6,8,10-12,15-16H2,1,3-4H3,(H,26,27)/b9-7-,14-13+/t18-,19+,20+,21+/m0/s1
InChIKey WMLGLMGSFIXSGO-KTXJXPLISA-N
SMILES O[C@H]1[C@@H]([C@H](C(C1)=C)C/C=C\CCCC(O)=O)/C=C/[C@@H](O)C(CCCC)(C)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 9-Deoxy-9-methylene-16,16-dimethyl -PGE2 (CHEBI:165325) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-methylidenecyclopentyl]hept-5-enoic acid
Manual Xrefs Databases
4446187 ChemSpider
D02726 KEGG DRUG
LMFA03010059 LIPID MAPS
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Registry Number Type Source
61263-35-2 CAS Registry Number ChemIDplus