CHEBI:176744 - 11-deoxyprostaglandin E1

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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-deoxyprostaglandin E1
ChEBI ID CHEBI:176744
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O4
Net Charge 0
Average Mass 338.488
Monoisotopic Mass 338.24571
InChI InChI=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
InChIKey DPNOTBLPQOITGU-LDDQNKHRSA-N
SMILES O=C1[C@@H]([C@H](CC1)/C=C/[C@@H](O)CCCCC)CCCCCCC(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
4446182 ChemSpider
LMFA03010054 LIPID MAPS
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Registry Number Type Source
37786-00-8 CAS Registry Number ChemIDplus