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CHEBI:230149 - PE(18:1(11Z)/6 keto-PGF1alpha)

ChEBI IDCHEBI:230149
ChEBI NamePE(18:1(11Z)/6 keto-PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H78NO12P
Net Charge0
Average Mass832.066
Monoisotopic Mass831.52616
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCC(=O)C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C43H78NO12P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25-42(49)53-33-37(34-55-57(51,52)54-30-29-44)56-43(50)26-22-21-24-36(46)31-39-38(40(47)32-41(39)48)28-27-35(45)23-19-6-4-2/h10-11,27-28,35,37-41,45,47-48H,3-9,12-26,29-34,44H2,1-2H3,(H,51,52)/b11-10-,28-27+/t35-,37+,38+,39+,40+,41-/m0/s1
InChIKeyMRNCYOUJMRKZEY-SPDGHSLPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(18:1(11Z)/6 keto-PGF1alpha) (CHEBI:230149) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoyl]oxypropyl] (Z)-octadec-11-enoate
Manual XrefsDatabases
HMDB0261222HMDB
128426151ChemSpider