CHEBI:230428 - DG(14:0/PGF1alpha/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(14:0/PGF1alpha/0:0)
ChEBI ID CHEBI:230428
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H68O8
Net Charge 0
Average Mass 640.943
Monoisotopic Mass 640.49142
InChI InChI=1S/C37H68O8/c1-3-5-7-8-9-10-11-12-13-14-19-23-36(42)44-29-31(28-38)45-37(43)24-20-16-15-18-22-32-33(35(41)27-34(32)40)26-25-30(39)21-17-6-4-2/h25-26,30-35,38-41H,3-24,27-29H2,1-2H3/b26-25+/t30-,31-,32+,33+,34-,35+/m0/s1
InChIKey GQRBXTUGEIZXNC-SZOVQTRSSA-N
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCC)CCCCCCC(O[C@H](COC(=O)CCCCCCCCCCCCC)CO)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing DG(14:0/PGF1alpha/0:0) (CHEBI:230428) is a organic molecular entity (CHEBI:50860)
IUPAC Name
[(2S)-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoyloxy]-3-hydroxypropyl] tetradecanoate
Manual Xrefs Databases
117214378 ChemSpider
HMDB0295175 HMDB
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