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CHEBI:231123 - PC(16:0/PGF2alpha)

ChEBI IDCHEBI:231123
ChEBI NamePC(16:0/PGF2alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H82NO11P
Net Charge0
Average Mass832.110
Monoisotopic Mass831.56255
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C/C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C44H82NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-24-28-43(49)53-35-38(36-55-57(51,52)54-33-32-45(3,4)5)56-44(50)29-25-21-20-23-27-39-40(42(48)34-41(39)47)31-30-37(46)26-22-9-7-2/h20,23,30-31,37-42,46-48H,6-19,21-22,24-29,32-36H2,1-5H3/b23-20+,31-30+/t37-,38+,39+,40+,41-,42+/m0/s1
InChIKeyNJHGFFOICHJLQM-OBDJTGHISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(16:0/PGF2alpha) (CHEBI:231123) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0285925HMDB
128425273ChemSpider