CHEBI:168703 - 11-deoxy-PGF1beta

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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-PGF1beta
ChEBI ID CHEBI:168703
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H36O4
Net Charge 0
Average Mass 340.504
Monoisotopic Mass 340.26136
InChI InChI=1S/C20H36O4/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/h12,14,16-19,21-22H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+,19+/m0/s1
InChIKey HYBPXYQCXNOTFK-JLNUFZAQSA-N
SMILES O[C@H]1[C@@H]([C@H](CC1)/C=C/[C@@H](O)CCCCC)CCCCCCC(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 11-deoxy-PGF1beta (CHEBI:168703) is a prostanoid (CHEBI:26347)
IUPAC Name
7-[(1R,2R,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid
Synonyms Sources
11-deoxy-PGF1b ChEBI
11-deoxy-prostaglandinF1beta ChEBI
Manual Xrefs Databases
4446198 ChemSpider
LMFA03010070 LIPID MAPS
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Last Modified
23 February 2023