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CHEBI:231019 - PG(PGF2alpha/16:0)

ChEBI IDCHEBI:231019
ChEBI NamePG(PGF2alpha/16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H77O13P
Net Charge0
Average Mass821.039
Monoisotopic Mass820.51018
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C/C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C42H77O13P/c1-3-5-7-8-9-10-11-12-13-14-15-16-22-26-42(49)55-36(33-54-56(50,51)53-31-35(45)30-43)32-52-41(48)25-21-18-17-20-24-37-38(40(47)29-39(37)46)28-27-34(44)23-19-6-4-2/h17,20,27-28,34-40,43-47H,3-16,18-19,21-26,29-33H2,1-2H3,(H,50,51)/b20-17+,28-27+/t34-,35-,36+,37+,38+,39-,40+/m0/s1
InChIKeySCUPIWHRNZCXPL-VCOFOGCZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PG(PGF2alpha/16:0) (CHEBI:231019) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-1-[(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] hexadecanoate
Manual XrefsDatabases
128427426ChemSpider
HMDB0268586HMDB