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

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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 2-glyceryl-6-keto-PGF1alpha
ChEBI ID CHEBI:169801
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H40O8
Net Charge 0
Average Mass 444.565
Monoisotopic Mass 444.27232
InChI InChI=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
InChIKey WAUOUVMBULAJKP-KSSVOKGRSA-N
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCC)CC(=O)CCCCC(OC(CO)CO)=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 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 Xrefs Databases
8450786 ChemSpider
LMFA03010188 LIPID MAPS
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