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CHEBI:230182 - SM(d16:1/PGF1alpha)

ChEBI IDCHEBI:230182
ChEBI NameSM(d16:1/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H79N2O9P
Net Charge0
Average Mass775.062
Monoisotopic Mass774.55232
SMILESCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C41H79N2O9P/c1-6-8-10-11-12-13-14-15-16-17-22-26-38(45)37(33-52-53(49,50)51-31-30-43(3,4)5)42-41(48)27-23-19-18-21-25-35-36(40(47)32-39(35)46)29-28-34(44)24-20-9-7-2/h22,26,28-29,34-40,44-47H,6-21,23-25,27,30-33H2,1-5H3,(H-,42,48,49,50)/b26-22+,29-28+/t34-,35+,36+,37-,38+,39-,40+/m0/s1
InChIKeyKEQMMBLLBUCFLY-QSQDGSRGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d16:1/PGF1alpha) (CHEBI:230182) 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]heptanoylamino]-3-hydroxyhexadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
128425956ChemSpider
HMDB0290292HMDB