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CHEBI:230141 - PC(PGF2alpha/20:3(5Z,8Z,11Z))

ChEBI IDCHEBI:230141
ChEBI NamePC(PGF2alpha/20:3(5Z,8Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H84NO11P
Net Charge0
Average Mass882.170
Monoisotopic Mass881.57820
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCC/C=C/C[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/C48H84NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29-33-48(54)60-42(40-59-61(55,56)58-37-36-49(3,4)5)39-57-47(53)32-28-25-24-27-31-43-44(46(52)38-45(43)51)35-34-41(50)30-26-9-7-2/h15-16,18-19,21-22,24,27,34-35,41-46,50-52H,6-14,17,20,23,25-26,28-33,36-40H2,1-5H3/b16-15-,19-18-,22-21-,27-24+,35-34+/t41-,42+,43+,44+,45-,46+/m0/s1
InChIKeyLXGPUTZHRIYAFU-HWSJQGEHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(PGF2alpha/20:3(5Z,8Z,11Z)) (CHEBI:230141) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-3-[(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoyl]oxy-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
128425505ChemSpider
HMDB0287274HMDB