CHEBI:138578 - N-(15Z-tetracosenoyl)-4E,14Z-sphingadienine-1-phosphocholine

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ChEBI Name N-(15Z-tetracosenoyl)-4E,14Z-sphingadienine-1-phosphocholine
ChEBI ID CHEBI:138578
ChEBI ASCII Name N-(15Z-tetracosenoyl)-4E,14Z-sphingadienine-1-phosphocholine
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C47H91N2O6P
Net Charge 0
Average Mass 811.211
Monoisotopic Mass 810.66148
InChI InChI=1S/C47H91N2O6P/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/h11,13,20-21,38,40,45-46,50H,6-10,12,14-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b13-11-,21-20-,40-38+/t45-,46+/m0/s1
InChIKey TXFLWJQVQCDUDZ-BRUGZULGSA-N
SMILES [C@]([C@@](/C=C/CCCCCCCC/C=C\CCC)(O)[H])(NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)([H])COP(OCC[N+](C)(C)C)([O-])=O
ChEBI Ontology
Outgoing N-(15Z-tetracosenoyl)-4E,14Z-sphingadienine-1-phosphocholine (CHEBI:138578) is a sphingomyelin 42:3 (CHEBI:72535)
Synonym Source
SM(d18:2/24:1) LIPID MAPS
Manual Xref Database
LMSP03010080 LIPID MAPS
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Last Modified
29 September 2017