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CHEBI:230428 - DG(14:0/PGF1alpha/0:0)

Default Structure
ChEBI IDCHEBI:230428
ChEBI NameDG(14:0/PGF1alpha/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H68O8
Net Charge0
Average Mass640.943
Monoisotopic Mass640.49142
SMILESCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=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
InChIKeyGQRBXTUGEIZXNC-SZOVQTRSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
117214378ChemSpider
HMDB0295175HMDB