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CHEBI:165326 - 9-Deoxy-9-methylene-PGE2

ChEBI IDCHEBI:165326
ChEBI Name9-Deoxy-9-methylene-PGE2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O4
Net Charge0
Average Mass350.499
Monoisotopic Mass350.24571
SMILESC=C1C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C21H34O4/c1-3-4-7-10-17(22)13-14-19-18(16(2)15-20(19)23)11-8-5-6-9-12-21(24)25/h5,8,13-14,17-20,22-23H,2-4,6-7,9-12,15H2,1H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+,20+/m0/s1
InChIKeyVKEJXDXJUFQESA-DLMPNJEASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
9-Deoxy-9-methylene-PGE2 (CHEBI:165326) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-methylidenecyclopentyl]hept-5-enoic acid
Manual XrefsDatabases
4446186ChemSpider
LMFA03010058LIPID MAPS
Registry NumbersSources
CAS:61263-32-9ChemIDplus