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CHEBI:74535 - N-[(15Z)-tetracosenoyl]sphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:74535
ChEBI NameN-[(15Z)-tetracosenoyl]sphing-4-enine-1-phosphocholine
Stars
ASCII NameN-[(15Z)-tetracosenoyl]sphing-4-enine-1-phosphocholine
DefinitionA sphingomyelin d18:1 in which the N-acyl group is specified as (15Z)-tetracosenoyl.
Last Modified19 April 2016
Submittermwilliams
DownloadsMolfile
FormulaC47H93N2O6P
Net Charge0
Average Mass813.243
Monoisotopic Mass812.67713
SMILES[H][C@@](O)(/C=C/CCCCCCCCCCCCC)[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b21-20-,40-38+/t45-,46+/m0/s1
InChIKeyWKZHECFHXLTOLJ-QYKFWSDSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-[(15Z)-tetracosenoyl]sphing-4-enine-1-phosphocholine (CHEBI:74535) has functional parent (15Z)-tetracosenoic acid (CHEBI:44247)
N-[(15Z)-tetracosenoyl]sphing-4-enine-1-phosphocholine (CHEBI:74535) has role mouse metabolite (CHEBI:75771)
N-[(15Z)-tetracosenoyl]sphing-4-enine-1-phosphocholine (CHEBI:74535) is a N-tetracosenoylsphingosine-1-phosphocholine (CHEBI:83172)
N-[(15Z)-tetracosenoyl]sphing-4-enine-1-phosphocholine (CHEBI:74535) is a sphingomyelin 42:2 (CHEBI:72534)
N-[(15Z)-tetracosenoyl]sphing-4-enine-1-phosphocholine (CHEBI:74535) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-[(15Z)-tetracos-15-enoylamino]octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
SM(d18:1/24:1(15Z))LIPID MAPS
C24:1 SphingomyelinLIPID MAPS
N-(15Z-tetracosenoyl)-sphing-4-enine-1-phosphocholineLIPID MAPS
UniProt Name  Source
N-(15Z-tetracosenoyl)sphing-4-enine-1-phosphocholineUniProt
Manual XrefsDatabases
LMSP03010007LIPID MAPS
HMDB0012107HMDB
Citations