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CHEBI:230258 - PC(17:0/PGF1alpha)

ChEBI IDCHEBI:230258
ChEBI NamePC(17:0/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H86NO11P
Net Charge0
Average Mass848.153
Monoisotopic Mass847.59385
SMILESCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C45H86NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-25-29-44(50)54-36-39(37-56-58(52,53)55-34-33-46(3,4)5)57-45(51)30-26-22-21-24-28-40-41(43(49)35-42(40)48)32-31-38(47)27-23-9-7-2/h31-32,38-43,47-49H,6-30,33-37H2,1-5H3/b32-31+/t38-,39+,40+,41+,42-,43+/m0/s1
InChIKeyXRCRRPVSLVKBBQ-DNJZHYSYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(17:0/PGF1alpha) (CHEBI:230258) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoyloxy]-3-heptadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
128425319ChemSpider
HMDB0286199HMDB