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CHEBI:231168 - SM(d20:1/18:1(12Z)-2OH(9,10))

ChEBI IDCHEBI:231168
ChEBI NameSM(d20:1/18:1(12Z)-2OH(9,10))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H85N2O8P
Net Charge0
Average Mass789.133
Monoisotopic Mass788.60435
SMILESCCCCC/C=C\C[C@H](O)[C@@H](O)CCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCCCCCCC
InChIInChI=1S/C43H85N2O8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-25-28-32-40(46)39(38-53-54(50,51)52-37-36-45(3,4)5)44-43(49)35-31-27-23-26-30-34-42(48)41(47)33-29-24-13-11-9-7-2/h24,28-29,32,39-42,46-48H,6-23,25-27,30-31,33-38H2,1-5H3,(H-,44,49,50,51)/b29-24-,32-28+/t39-,40+,41-,42-/m0/s1
InChIKeyUBRHJBTUYJDNRD-COAOFDFLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d20:1/18:1(12Z)-2OH(9,10)) (CHEBI:231168) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
[(E,2S,3R)-2-[[(Z,9S,10S)-9,10-dihydroxyoctadec-12-enoyl]amino]-3-hydroxyicos-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
117210025ChemSpider
HMDB0290739HMDB