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CHEBI:176744 - 11-deoxyprostaglandin E1

ChEBI IDCHEBI:176744
ChEBI Name11-deoxyprostaglandin E1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O4
Net Charge0
Average Mass338.488
Monoisotopic Mass338.24571
SMILESCCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C20H34O4/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/h12,14,16-18,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1
InChIKeyDPNOTBLPQOITGU-LDDQNKHRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
ChEBI Ontology
Outgoing Relation(s)
11-deoxyprostaglandin E1 (CHEBI:176744) is a prostanoid (CHEBI:26347)
IUPAC Name 
7-[(1R,2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
Manual XrefsDatabases
4446182ChemSpider
LMFA03010054LIPID MAPS
Registry NumbersSources
CAS:37786-00-8ChemIDplus