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CHEBI:230988 - SM(d17:1/6 keto-PGF1alpha)

ChEBI IDCHEBI:230988
ChEBI NameSM(d17:1/6 keto-PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H79N2O10P
Net Charge0
Average Mass803.072
Monoisotopic Mass802.54723
SMILESCCCCCCCCCCCC/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/C42H79N2O10P/c1-6-8-10-11-12-13-14-15-16-17-18-20-25-39(47)38(33-54-55(51,52)53-30-29-44(3,4)5)43-42(50)26-22-21-24-35(46)31-37-36(40(48)32-41(37)49)28-27-34(45)23-19-9-7-2/h20,25,27-28,34,36-41,45,47-49H,6-19,21-24,26,29-33H2,1-5H3,(H-,43,50,51,52)/b25-20+,28-27+/t34-,36+,37+,38-,39+,40+,41-/m0/s1
InChIKeyNSOLGWUMDCIYKP-LBACSJQNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d17:1/6 keto-PGF1alpha) (CHEBI:230988) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(E,2S,3R)-2-[[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoyl]amino]-3-hydroxyheptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
128425968ChemSpider
HMDB0290362HMDB