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CHEBI:230081 - PC(20:4(8Z,11Z,14Z,17Z)/PGE1)

ChEBI IDCHEBI:230081
ChEBI NamePC(20:4(8Z,11Z,14Z,17Z)/PGE1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H82NO11P
Net Charge0
Average Mass880.154
Monoisotopic Mass879.56255
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C48H82NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-32-47(53)57-39-42(40-59-61(55,56)58-37-36-49(3,4)5)60-48(54)33-29-25-24-27-31-43-44(46(52)38-45(43)51)35-34-41(50)30-26-9-7-2/h8,10,12-13,15-16,18-19,34-35,41-44,46,50,52H,6-7,9,11,14,17,20-33,36-40H2,1-5H3/b10-8-,13-12-,16-15-,19-18-,35-34+/t41-,42+,43+,44+,46+/m0/s1
InChIKeyGBXXMKWPYKCQKT-YMGQYUPISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(20:4(8Z,11Z,14Z,17Z)/PGE1) (CHEBI:230081) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0287647HMDB
128425564ChemSpider