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CHEBI:230863 - PA(20:0/PGJ2)

ChEBI IDCHEBI:230863
ChEBI NamePA(20:0/PGJ2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H75O10P
Net Charge0
Average Mass783.037
Monoisotopic Mass782.50979
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC/C=C\C[C@H]1C=CC(=O)[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C43H75O10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-29-42(46)51-35-39(36-52-54(48,49)50)53-43(47)30-26-22-21-24-27-37-31-34-41(45)40(37)33-32-38(44)28-23-6-4-2/h21,24,31-34,37-40,44H,3-20,22-23,25-30,35-36H2,1-2H3,(H2,48,49,50)/b24-21-,33-32+/t37-,38-,39+,40+/m0/s1
InChIKeyVREOUNUSACQGHD-KPCDPRODSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(20:0/PGJ2) (CHEBI:230863) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy-3-phosphonooxypropyl] icosanoate
Manual XrefsDatabases
HMDB0264648HMDB
128426744ChemSpider