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CHEBI:231193 - DG(21:0/PGF1alpha/0:0)

ChEBI IDCHEBI:231193
ChEBI NameDG(21:0/PGF1alpha/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H82O8
Net Charge0
Average Mass739.132
Monoisotopic Mass738.60097
SMILESCCCCCCCCCCCCCCCCCCCCC(=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/C44H82O8/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-30-43(49)51-36-38(35-45)52-44(50)31-27-23-22-25-29-39-40(42(48)34-41(39)47)33-32-37(46)28-24-6-4-2/h32-33,37-42,45-48H,3-31,34-36H2,1-2H3/b33-32+/t37-,38-,39+,40+,41-,42+/m0/s1
InChIKeyYZNWQCHEMKCCQJ-DKHSNCPWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(21:0/PGF1alpha/0:0) (CHEBI:231193) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2S)-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoyloxy]-3-hydroxypropyl] henicosanoate
Manual XrefsDatabases
HMDB0296631HMDB
117215834ChemSpider