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CHEBI:231160 - SM(d16:2(4E,8Z)/6 keto-PGF1alpha)

ChEBI IDCHEBI:231160
ChEBI NameSM(d16:2(4E,8Z)/6 keto-PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H75N2O10P
Net Charge0
Average Mass787.029
Monoisotopic Mass786.51593
SMILESCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCC(=O)C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C41H75N2O10P/c1-6-8-10-11-12-13-14-15-16-17-19-24-38(46)37(32-53-54(50,51)52-29-28-43(3,4)5)42-41(49)25-21-20-23-34(45)30-36-35(39(47)31-40(36)48)27-26-33(44)22-18-9-7-2/h14-15,19,24,26-27,33,35-40,44,46-48H,6-13,16-18,20-23,25,28-32H2,1-5H3,(H-,42,49,50,51)/b15-14-,24-19+,27-26+/t33-,35+,36+,37-,38+,39+,40-/m0/s1
InChIKeyUDVGLCGAJLLGOP-DPPDRTKUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d16:2(4E,8Z)/6 keto-PGF1alpha) (CHEBI:231160) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2S,3R,4E,8Z)-2-[[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoyl]amino]-3-hydroxyhexadeca-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
128425959ChemSpider
HMDB0290310HMDB