CHEBI:84476 - N-(17Z-hexacosenoyl)-sphingosine-1-phosphocholine

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ChEBI Name N-(17Z-hexacosenoyl)-sphingosine-1-phosphocholine
ChEBI ID CHEBI:84476
ChEBI ASCII Name N-(17Z-hexacosenoyl)-sphingosine-1-phosphocholine
Definition A N-hexacosenoylsphingosine-1-phosphocholine consisting of sphingosine as the sphingoid base acylated at the N atom by a (17Z)-hexacosenoyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C49H97N2O6P
Net Charge 0
Average Mass 841.27800
Monoisotopic Mass 840.70843
InChI InChI=1S/C49H97N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-49(53)50-47(46-57-58(54,55)56-45-44-51(3,4)5)48(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h20-21,40,42,47-48,52H,6-19,22-39,41,43-46H2,1-5H3,(H-,50,53,54,55)/b21-20-,42-40+/t47-,48+/m0/s1
InChIKey YXEXWUZHFGYOHJ-UOJCCMJYSA-N
SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-(17Z-hexacosenoyl)-sphingosine-1-phosphocholine (CHEBI:84476) has functional parent (17Z)-hexacosenoic acid (CHEBI:77525)
N-(17Z-hexacosenoyl)-sphingosine-1-phosphocholine (CHEBI:84476) has role mouse metabolite (CHEBI:75771)
N-(17Z-hexacosenoyl)-sphingosine-1-phosphocholine (CHEBI:84476) is a N-hexacosenoylsphingosine-1-phosphocholine (CHEBI:83362)
IUPAC Name
(2S,3R,4E)-2-[(17Z)-hexacos-17-enoylamino]-3-hydroxyoctadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
C26:1 Sphingomyelin LIPID MAPS
N-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphocholine LIPID MAPS
SM(d18:1/26:1(17Z)) LIPID MAPS
Manual Xrefs Databases
HMDB0013461 HMDB
LMSP03010009 LIPID MAPS
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Last Modified
23 October 2015