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CHEBI:230287 - PC(18:4(6Z,9Z,12Z,15Z)/PGF1alpha)

ChEBI IDCHEBI:230287
ChEBI NamePC(18:4(6Z,9Z,12Z,15Z)/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H80NO11P
Net Charge0
Average Mass854.116
Monoisotopic Mass853.54690
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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/C46H80NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-26-30-45(51)55-37-40(38-57-59(53,54)56-35-34-47(3,4)5)58-46(52)31-27-23-22-25-29-41-42(44(50)36-43(41)49)33-32-39(48)28-24-9-7-2/h8,10,12-13,15-16,18-19,32-33,39-44,48-50H,6-7,9,11,14,17,20-31,34-38H2,1-5H3/b10-8-,13-12-,16-15-,19-18-,33-32+/t39-,40+,41+,42+,43-,44+/m0/s1
InChIKeyNLRHXPVMXUSUMB-DQRPFGGASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(18:4(6Z,9Z,12Z,15Z)/PGF1alpha) (CHEBI:230287) 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-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0286926HMDB
128425444ChemSpider