CHEBI:230866 - DG(2:0/PGE2/0:0)

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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 DG(2:0/PGE2/0:0)
ChEBI ID CHEBI:230866
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H40O8
Net Charge 0
Average Mass 468.587
Monoisotopic Mass 468.27232
InChI InChI=1S/C25H40O8/c1-3-4-7-10-19(28)13-14-22-21(23(29)15-24(22)30)11-8-5-6-9-12-25(31)33-20(16-26)17-32-18(2)27/h5,8,13-14,19-22,24,26,28,30H,3-4,6-7,9-12,15-17H2,1-2H3/b8-5-,14-13+/t19-,20-,21+,22+,24+/m0/s1
InChIKey SLLOZRNHKAIZEL-GOBPADTJSA-N
SMILES O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCC(O[C@H](COC(=O)C)CO)=O)/C=C/[C@@H](O)CCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing DG(2:0/PGE2/0:0) (CHEBI:230866) is a prostanoid (CHEBI:26347)
IUPAC Name
[(2S)-1-acetyloxy-3-hydroxypropan-2-yl] (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
Manual Xrefs Databases
117216106 ChemSpider
HMDB0296903 HMDB
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