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CHEBI:78650 - N-hexadecanoylphytosphingosine-1-phosphocholine

ChEBI IDCHEBI:78650
ChEBI NameN-hexadecanoylphytosphingosine-1-phosphocholine
Stars
ASCII NameN-hexadecanoylphytosphingosine-1-phosphocholine
DefinitionA sphingomyelin 34:0 in which the N-acyl group and sphingoid base are specified as hexadecanoyl and phytosphingosine respectively.
Last Modified1 October 2020
Submitternhn
DownloadsMolfile
FormulaC39H81N2O7P
Net Charge0
Average Mass721.058
Monoisotopic Mass720.57814
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=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
InChIKeyAEPRVLRKSXEZQJ-UIJXAYEMSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
N-palmitoylphytosphingosine-1-phosphocholineSUBMITTER
(2S,3S,4R)-3,4-dihydroxy-2-(palmitoylamino)octadecyl 2-(trimethylazaniumyl)ethyl phosphateIUPAC
N-palmitoyl-4-hydroxysphinganine-1-phosphocholineChEBI
N-hexadecanoyl-4-hydroxysphinganine-1-phosphocholineChEBI
UniProt Name  Source
N-hexadecanoyl-(4R)-hydroxysphinganine-phosphocholineUniProt
Citations