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CHEBI:90002 - SM(d18:0/22:3(10Z,13Z,16Z))

ChEBI IDCHEBI:90002
ChEBI NameSM(d18:0/22:3(10Z,13Z,16Z))
Stars
DownloadsMolfile
FormulaC45H85N2O6P
Net Charge0
Average Mass781.157
Monoisotopic Mass780.61453
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C45H85N2O6P/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/h14,16,20-21,23-24,36,38,43-44,48H,6-13,15,17-19,22,25-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b16-14-,21-20-,24-23-,38-36+/t43-,44+/m0/s1
InChIKeyYTQGMICAWXIKQI-OIMFMVRSSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (24023812)
ChEBI Ontology
Outgoing Relation(s)
SM(d18:0/22:3(10Z,13Z,16Z)) (CHEBI:90002) is a sphingomyelin (CHEBI:64583)
Synonyms  Source
N-(15Z-Tetracosenoyl)-sphing-4-enine-1-phosphocholineHMDB
(2-{[(2S,3R,4E)-2-[(10Z,13Z,16Z)-docosa-10,13,16-trienamido]-3-hydroxyoctadec-4-en-1-yl phosphonato]oxy}ethyl)trimethylazaniumHMDB
C22:3 SphingomyelinHMDB
Manual XrefsDatabases
HMDB0013468HMDB
SphingomyelinWikipedia
Citations