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CHEBI:105799 - N-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine

ChEBI IDCHEBI:105799
ChEBI NameN-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine
Stars
ASCII NameN-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine
DefinitionA sphingomyelin 36:3 in which the fatty acyl and sphingoid portions are specified as oleoyl and (4E,14Z)-sphingadienine respectively.
Last Modified6 April 2016
DownloadsMolfile
FormulaC41H79N2O6P
Net Charge0
Average Mass727.065
Monoisotopic Mass726.56757
SMILESCCC/C=C\CCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C41H79N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h11,13,20-21,32,34,39-40,44H,6-10,12,14-19,22-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b13-11-,21-20-,34-32+/t39-,40+/m0/s1
InChIKeyYMTVMVYOUDDTQJ-UOMMIRHQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- MetaboLights (MTBLS90)
- MetaboLights (MTBLS93)
- MetaboLights (MTBLS124)
- PubMed (25502724)
ChEBI Ontology
Outgoing Relation(s)
N-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine (CHEBI:105799) has functional parent oleic acid (CHEBI:16196)
N-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine (CHEBI:105799) has functional parent sphinga-4E,14Z-dienine (CHEBI:73889)
N-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine (CHEBI:105799) is a sphingomyelin 36:3 (CHEBI:72520)
IUPAC Name 
(2S,3R,4E,14Z)-3-hydroxy-2-{[(9Z)-octadec-9-enoyl]amino}octadeca-4,14-dien-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
N-(9Z-octadecenoyl)-4E,14Z-sphingadienine-1-phosphocholineLIPID MAPS
sphingomyelin d18:2/18:1ChEBI
SM(d18:2/18:1)LIPID MAPS
Manual XrefsDatabases
LMSP03010047LIPID MAPS
Citations