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CHEBI:230194 - SM(d18:1/6 keto-PGF1alpha)

ChEBI IDCHEBI:230194
ChEBI NameSM(d18:1/6 keto-PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H81N2O10P
Net Charge0
Average Mass817.099
Monoisotopic Mass816.56288
SMILESCCCCCCCCCCCCC/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/C43H81N2O10P/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-26-40(48)39(34-55-56(52,53)54-31-30-45(3,4)5)44-43(51)27-23-22-25-36(47)32-38-37(41(49)33-42(38)50)29-28-35(46)24-20-9-7-2/h21,26,28-29,35,37-42,46,48-50H,6-20,22-25,27,30-34H2,1-5H3,(H-,44,51,52,53)/b26-21+,29-28+/t35-,37+,38+,39-,40+,41+,42-/m0/s1
InChIKeyJXQFDWGMBSZKSE-LPCYUWLXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d18:1/6 keto-PGF1alpha) (CHEBI:230194) is a phosphosphingolipid (CHEBI:35786)
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-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
128425995ChemSpider
HMDB0290518HMDB