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CHEBI:231143 - PC(PGF1alpha/24:1(15Z))

ChEBI IDCHEBI:231143
ChEBI NamePC(PGF1alpha/24:1(15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H98NO11P
Net Charge0
Average Mass944.326
Monoisotopic Mass943.68775
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C52H98NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-33-37-52(58)64-46(44-63-65(59,60)62-41-40-53(3,4)5)43-61-51(57)36-32-29-28-31-35-47-48(50(56)42-49(47)55)39-38-45(54)34-30-9-7-2/h15-16,38-39,45-50,54-56H,6-14,17-37,40-44H2,1-5H3/b16-15-,39-38+/t45-,46+,47+,48+,49-,50+/m0/s1
InChIKeyQZYKRRSVPOZCBC-CJITYVHBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(PGF1alpha/24:1(15Z)) (CHEBI:231143) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-3-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoyloxy]-2-[(Z)-tetracos-15-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
128425767ChemSpider
HMDB0288795HMDB