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CHEBI:89490 - SM(d18:0/22:0)

ChEBI IDCHEBI:89490
ChEBI NameSM(d18:0/22:0)
Stars
Last Modified24 July 2018
DownloadsMolfile
FormulaC45H93N2O6P
Net Charge0
Average Mass789.221
Monoisotopic Mass788.67713
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C45H93N2O6P/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/h43-44,48H,6-42H2,1-5H3,(H-,46,49,50,51)/t43-,44+/m0/s1
InChIKeyFONAXCRWZQFJHY-JCGOJSMZSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (20671299)
ChEBI Ontology
Outgoing Relation(s)
SM(d18:0/22:0) (CHEBI:89490) is a sphingomyelin (CHEBI:64583)
IUPAC Name 
(2-{[(2S,3R)-2-docosanamido-3-hydroxyoctadecyl phosphonato]oxy}ethyl)trimethylazanium
Synonyms  Source
N-(Docosanoyl)-sphinganine-1-phosphocholineHMDB
SphingomyelinHMDB
Sphingomyelin (d18:0/22:0)HMDB
Manual XrefsDatabases
HMDB0012091HMDB
SphingomyelinWikipedia
Citations