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CHEBI:169801 - 2-glyceryl-6-keto-PGF1alpha

ChEBI IDCHEBI:169801
ChEBI Name2-glyceryl-6-keto-PGF1alpha
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40O8
Net Charge0
Average Mass444.565
Monoisotopic Mass444.27232
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CC(=O)CCCCC(=O)OC(CO)CO)[C@@H](O)C[C@H]1O
InChIInChI=1S/C23H40O8/c1-2-3-4-7-16(26)10-11-19-20(22(29)13-21(19)28)12-17(27)8-5-6-9-23(30)31-18(14-24)15-25/h10-11,16,18-22,24-26,28-29H,2-9,12-15H2,1H3/b11-10+/t16-,19+,20+,21+,22-/m0/s1
InChIKeyWAUOUVMBULAJKP-KSSVOKGRSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-glyceryl-6-keto-PGF1alpha (CHEBI:169801) is a prostanoid (CHEBI:26347)
IUPAC Name 
1,3-dihydroxypropan-2-yl 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate
Manual XrefsDatabases
LMFA03010188LIPID MAPS
8450786ChemSpider