CHEBI:138575 - N-(pentacosanoyl)-hexadecasphing-4-enine-1-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(pentacosanoyl)-hexadecasphing-4-enine-1-phosphocholine
ChEBI ID CHEBI:138575
ChEBI ASCII Name N-(pentacosanoyl)-hexadecasphing-4-enine-1-phosphocholine
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C46H93N2O6P
Net Charge 0
Average Mass 801.216
Monoisotopic Mass 800.67713
InChI InChI=1S/C46H93N2O6P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-17-15-13-11-9-7-2/h37,39,44-45,49H,6-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b39-37+/t44-,45+/m0/s1
InChIKey LQSSZIQDYCHSLD-NMIJJABPSA-N
SMILES [C@]([C@@](/C=C/CCCCCCCCCCC)(O)[H])(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC)([H])COP(OCC[N+](C)(C)C)([O-])=O
ChEBI Ontology
Outgoing N-(pentacosanoyl)-hexadecasphing-4-enine-1-phosphocholine (CHEBI:138575) is a sphingomyelin 41:1 (CHEBI:83893)
Synonym Source
SM(d16:1/25:0) LIPID MAPS
Manual Xref Database
LMSP03010076 LIPID MAPS
View more database links
Last Modified
29 September 2017