CHEBI:78650 - N-hexadecanoylphytosphingosine-1-phosphocholine

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ChEBI Name N-hexadecanoylphytosphingosine-1-phosphocholine
ChEBI ID CHEBI:78650
ChEBI ASCII Name N-hexadecanoylphytosphingosine-1-phosphocholine
Definition A sphingomyelin 34:0 in which the N-acyl group and sphingoid base are specified as hexadecanoyl and phytosphingosine respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
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Formula C39H81N2O7P
Net Charge 0
Average Mass 721.04340
Monoisotopic Mass 720.57814
InChI InChI=1S/C39H81N2O7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(43)40-36(35-48-49(45,46)47-34-33-41(3,4)5)39(44)37(42)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36-37,39,42,44H,6-35H2,1-5H3,(H-,40,43,45,46)/t36-,37+,39-/m0/s1
InChIKey AEPRVLRKSXEZQJ-UIJXAYEMSA-N
SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
ChEBI Ontology
Outgoing N-hexadecanoylphytosphingosine-1-phosphocholine (CHEBI:78650) has functional parent hexadecanoic acid (CHEBI:15756)
N-hexadecanoylphytosphingosine-1-phosphocholine (CHEBI:78650) has functional parent phytosphingosine (CHEBI:46961)
N-hexadecanoylphytosphingosine-1-phosphocholine (CHEBI:78650) is a N-acylphytosphingosine-1-phosphocholine (CHEBI:78651)
N-hexadecanoylphytosphingosine-1-phosphocholine (CHEBI:78650) is a sphingomyelin 34:0 (CHEBI:72513)
IUPAC Name
(2S,3S,4R)-2-(hexadecanoylamino)-3,4-dihydroxyoctadecyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
(2S,3S,4R)-3,4-dihydroxy-2-(palmitoylamino)octadecyl 2-(trimethylazaniumyl)ethyl phosphate IUPAC
N-hexadecanoyl-(4R)-hydroxysphinganine-phosphocholine UniProt
N-hexadecanoyl-4-hydroxysphinganine-1-phosphocholine ChEBI
N-palmitoyl-4-hydroxysphinganine-1-phosphocholine ChEBI
N-palmitoylphytosphingosine-1-phosphocholine SUBMITTER
Citation Waiting for Citations Type Source
19454763 PubMed citation SUBMITTER
Last Modified
01 October 2020