CHEBI:78647 - N-hexadecanoylsphinganine-1-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-hexadecanoylsphinganine-1-phosphocholine
ChEBI ID CHEBI:78647
ChEBI ASCII Name N-hexadecanoylsphinganine-1-phosphocholine
Definition A sphingomyelin 34:0 in which the N-acyl group and sphingoid base are specified as hexadecanoyl and sphinganine respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
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Formula C39H81N2O6P
Net Charge 0
Average Mass 705.04400
Monoisotopic Mass 704.58323
InChI InChI=1S/C39H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h37-38,42H,6-36H2,1-5H3,(H-,40,43,44,45)/t37-,38+/m0/s1
InChIKey QHZIGNLCLJPLCU-QPPIDDCLSA-N
SMILES CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-hexadecanoylsphinganine-1-phosphocholine (CHEBI:78647) has functional parent hexadecanoic acid (CHEBI:15756)
N-hexadecanoylsphinganine-1-phosphocholine (CHEBI:78647) has role human metabolite (CHEBI:77746)
N-hexadecanoylsphinganine-1-phosphocholine (CHEBI:78647) has role mouse metabolite (CHEBI:75771)
N-hexadecanoylsphinganine-1-phosphocholine (CHEBI:78647) is a N-acylsphinganine-1-phosphocholine (CHEBI:67090)
N-hexadecanoylsphinganine-1-phosphocholine (CHEBI:78647) is a sphingomyelin 34:0 (CHEBI:72513)
IUPAC Name
(2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadecyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
(2S,3R)-3-hydroxy-2-(palmitoylamino)octadecyl 2-(trimethylazaniumyl)ethyl phosphate IUPAC
C16 dihydrosphingomyelin LIPID MAPS
N-(hexadecanoyl)-sphinganine-1-phosphocholine LIPID MAPS
N-hexadecanoyl-sphinganine-1-phosphocholine UniProt
N-hexadecanoyldihydroceramide-1-phosphocholine SUBMITTER
N-palmitoyldihydroceramide-1-phosphocholine ChEBI
N-palmitoylsphinganine-1-phosphocholine SUBMITTER
palmitoyl dihydrosphingomyelin ChEBI
palmitoyl dihydrosphingomyelin (d18:0/16:0) ChEBI
SM(18:0/16:0) ChEBI
SM(d18:0/16:0) LIPID MAPS
Sphingomyelin (d18:0/16:0) HMDB
{[(2S,3R)-2-hexadecanamido-3-hydroxyoctadecyl]oxy}[2-(trimethylazaniumyl)ethoxy]phosphinic acid HMDB
Manual Xrefs Databases
HMDB0010168 HMDB
LMSP03010004 LIPID MAPS
View more database links
Registry Number Type Source
6796346 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19454763 PubMed citation SUBMITTER
20671299 PubMed citation Europe PMC
24023812 PubMed citation Europe PMC
Last Modified
04 October 2016