CHEBI:138577 - N-(tetracosanoyl)-4E,14Z-sphingadienine-1-phosphocholine

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ChEBI Name N-(tetracosanoyl)-4E,14Z-sphingadienine-1-phosphocholine
ChEBI ID CHEBI:138577
ChEBI ASCII Name N-(tetracosanoyl)-4E,14Z-sphingadienine-1-phosphocholine
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C47H93N2O6P
Net Charge 0
Average Mass 813.227
Monoisotopic Mass 812.67713
InChI InChI=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/h11,13,38,40,45-46,50H,6-10,12,14-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b13-11-,40-38+/t45-,46+/m0/s1
InChIKey DACOGJMBYLZYDH-GXJPFUDISA-N
SMILES [C@]([C@@](/C=C/CCCCCCCC/C=C\CCC)(O)[H])(NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)([H])COP(OCC[N+](C)(C)C)([O-])=O
ChEBI Ontology
Outgoing N-(tetracosanoyl)-4E,14Z-sphingadienine-1-phosphocholine (CHEBI:138577) is a sphingomyelin 42:2 (CHEBI:72534)
Synonym Source
SM(d18:2/24:0) LIPID MAPS
Manual Xref Database
LMSP03010081 LIPID MAPS
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Last Modified
29 September 2017