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CHEBI:231181 - SM(d18:0/18:1(12Z)-2OH(9,10))

ChEBI IDCHEBI:231181
ChEBI NameSM(d18:0/18:1(12Z)-2OH(9,10))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H83N2O8P
Net Charge0
Average Mass763.095
Monoisotopic Mass762.58870
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)CCCCCCCCCCCCCCC
InChIInChI=1S/C41H83N2O8P/c1-6-8-10-12-14-15-16-17-18-19-20-23-26-30-38(44)37(36-51-52(48,49)50-35-34-43(3,4)5)42-41(47)33-29-25-21-24-28-32-40(46)39(45)31-27-22-13-11-9-7-2/h22,27,37-40,44-46H,6-21,23-26,28-36H2,1-5H3,(H-,42,47,48,49)/b27-22-/t37-,38+,39-,40-/m0/s1
InChIKeyCJQUKEABDIULNO-UIEFYIIOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d18:0/18:1(12Z)-2OH(9,10)) (CHEBI:231181) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
[(2S,3R)-2-[[(Z,9S,10S)-9,10-dihydroxyoctadec-12-enoyl]amino]-3-hydroxyoctadecyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0290479HMDB