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CHEBI:169397 - 1(3)-glyceryl-6-keto-PGF1alpha

ChEBI IDCHEBI:169397
ChEBI Name1(3)-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)OCC(O)CO)[C@@H](O)C[C@H]1O
InChIInChI=1S/C23H40O8/c1-2-3-4-7-16(25)10-11-19-20(22(29)13-21(19)28)12-17(26)8-5-6-9-23(30)31-15-18(27)14-24/h10-11,16,18-22,24-25,27-29H,2-9,12-15H2,1H3/b11-10+/t16-,18?,19+,20+,21+,22-/m0/s1
InChIKeyMPSATYYKSWVJNQ-NSZXNXEKSA-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)
1(3)-glyceryl-6-keto-PGF1alpha (CHEBI:169397) is a prostanoid (CHEBI:26347)
IUPAC Name 
2,3-dihydroxypropyl 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate
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24822060ChemSpider
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