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CHEBI:230080 - PE(16:0/PGF1alpha)

ChEBI IDCHEBI:230080
ChEBI NamePE(16:0/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H78NO11P
Net Charge0
Average Mass792.045
Monoisotopic Mass791.53125
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C41H78NO11P/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-25-40(46)50-32-35(33-52-54(48,49)51-30-29-42)53-41(47)26-22-18-17-20-24-36-37(39(45)31-38(36)44)28-27-34(43)23-19-6-4-2/h27-28,34-39,43-45H,3-26,29-33,42H2,1-2H3,(H,48,49)/b28-27+/t34-,35+,36+,37+,38-,39+/m0/s1
InChIKeyXSDMXKWUQKFVAN-USTYUOLBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(16:0/PGF1alpha) (CHEBI:230080) 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]heptanoyloxy]propyl] hexadecanoate
Manual XrefsDatabases
128426109ChemSpider
HMDB0260978HMDB