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CHEBI:231133 - PC(DiMe(11,5)/PGE2)

ChEBI IDCHEBI:231133
ChEBI NamePC(DiMe(11,5)/PGE2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H86NO12P
Net Charge0
Average Mass924.207
Monoisotopic Mass923.58876
SMILESCCCCCc1oc(CCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C[C@H]2C(=O)C[C@@H](O)[C@@H]2/C=C/[C@@H](O)CCCCC)c(C)c1C
InChIInChI=1S/C50H86NO12P/c1-8-10-20-26-41(52)32-33-44-43(45(53)36-46(44)54)27-22-18-19-25-31-50(56)62-42(38-61-64(57,58)60-35-34-51(5,6)7)37-59-49(55)30-24-17-15-13-12-14-16-23-29-48-40(4)39(3)47(63-48)28-21-11-9-2/h18,22,32-33,41-44,46,52,54H,8-17,19-21,23-31,34-38H2,1-7H3/b22-18-,33-32+/t41-,42+,43+,44+,46+/m0/s1
InChIKeyNZIJTFCUMXXEEE-GTYWQUARSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(DiMe(11,5)/PGE2) (CHEBI:231133) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-3-[11-(3,4-dimethyl-5-pentyluran-2-yl)undecanoyloxy]-2-[(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0289034HMDB
128425804ChemSpider