EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:190464 - SM(d18:0/22:1(13Z))

ChEBI IDCHEBI:190464
ChEBI NameSM(d18:0/22:1(13Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H91N2O6P
Net Charge0
Average Mass787.205
Monoisotopic Mass786.66148
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C45H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h20-21,43-44,48H,6-19,22-42H2,1-5H3,(H-,46,49,50,51)/b21-20-/t43-,44+/m0/s1
InChIKeyDLCISSOZWVGBGP-KUMHYYHTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS4187)
ChEBI Ontology
Outgoing Relation(s)
SM(d18:0/22:1(13Z)) (CHEBI:190464) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
[(2S,3R)-2-[[(Z)-docos-13-enoyl]amino]-3-hydroxyoctadecyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
C00550KEGG COMPOUND
SphingomyelinsMetaCyc
HMDB0012092HMDB
35032399ChemSpider