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CHEBI:230922 - SM(d19:0/6 keto-PGF1alpha)

ChEBI IDCHEBI:230922
ChEBI NameSM(d19:0/6 keto-PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H85N2O10P
Net Charge0
Average Mass833.142
Monoisotopic Mass832.59418
SMILESCCCCCCCCCCCCCCCC[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/C44H85N2O10P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-27-41(49)40(35-56-57(53,54)55-32-31-46(3,4)5)45-44(52)28-24-23-26-37(48)33-39-38(42(50)34-43(39)51)30-29-36(47)25-21-9-7-2/h29-30,36,38-43,47,49-51H,6-28,31-35H2,1-5H3,(H-,45,52,53,54)/b30-29+/t36-,38+,39+,40-,41+,42+,43-/m0/s1
InChIKeyYPNQHBSLXFPAMO-RDFVSEQLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d19:0/6 keto-PGF1alpha) (CHEBI:230922) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
[(2S,3R)-2-[[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoyl]amino]-3-hydroxynonadecyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0290622HMDB
128426013ChemSpider