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CHEBI:89104 - SM C16:1

ChEBI IDCHEBI:89104
ChEBI NameSM C16:1
Stars
DownloadsMolfile
FormulaC40H80N2O6P
Net Charge+1
Average Mass716.062
Monoisotopic Mass715.57485
SMILESCCCCCC/C=C/CCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](O)CCCCCCC/C=C/CCCCCCC
InChIInChI=1S/C40H79N2O6P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-39(43)38(37-48-49(45,46)47-36-35-42(3,4)5)41-40(44)34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h17-20,38-39,43H,6-16,21-37H2,1-5H3,(H-,41,44,45,46)/p+1/b19-17+,20-18+/t38-,39+/m0/s1
InChIKeyZKIVREDSEABFBU-NDBDZNEVSA-O
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (24023812)
ChEBI Ontology
Outgoing Relation(s)
SM C16:1 (CHEBI:89104) is a sphingomyelin (CHEBI:64583)
Synonym  Source
{[(2S,3R,11E)-2-[(9E)-hexadec-9-enamido]-3-hydroxynonadec-11-en-1-yl]oxy}[2-(trimethylazaniumyl)ethoxy]phosphinic acidHMDB
Manual XrefsDatabases
HMDB0029216HMDB
Citations