CHEBI:231155 - DG(PGJ2/14:0/0:0)

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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(PGJ2/14:0/0:0)
ChEBI ID CHEBI:231155
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H62O7
Net Charge 0
Average Mass 618.896
Monoisotopic Mass 618.44955
InChI InChI=1S/C37H62O7/c1-3-5-7-8-9-10-11-12-13-14-20-24-37(42)44-33(29-38)30-43-36(41)23-19-16-15-18-21-31-25-28-35(40)34(31)27-26-32(39)22-17-6-4-2/h15,18,25-28,31-34,38-39H,3-14,16-17,19-24,29-30H2,1-2H3/b18-15-,27-26+/t31-,32-,33-,34+/m0/s1
InChIKey CGTGJUMBRHYXID-OWXIBXKPSA-N
SMILES O=C1[C@@H]([C@@H](C/C=C\CCCC(OC[C@@H](OC(=O)CCCCCCCCCCCCC)CO)=O)C=C1)/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(PGJ2/14:0/0:0) (CHEBI:231155) is a prostanoid (CHEBI:26347)
IUPAC Name
[(2S)-1-hydroxy-3-[(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxypropan-2-yl] tetradecanoate
Manual Xrefs Databases
117214297 ChemSpider
HMDB0295094 HMDB
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