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CHEBI:71021 - 15-methylhexadecasphing-4-enine-1-phosphocholine(1+)

ChEBI IDCHEBI:71021
ChEBI Name15-methylhexadecasphing-4-enine-1-phosphocholine(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of 15-methylhexadecasphing-4-enine-1-phosphocholine, obtained by protonation of the primary amino function; major species at pH 7.3.
Last Modified25 November 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC22H48N2O5P
Net Charge+1
Average Mass451.609
Monoisotopic Mass451.32954
SMILESCC(C)CCCCCCCCC/C=C/[C@@H](O)[C@@H]([NH3+])COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C22H47N2O5P/c1-20(2)15-13-11-9-7-6-8-10-12-14-16-22(25)21(23)19-29-30(26,27)28-18-17-24(3,4)5/h14,16,20-22,25H,6-13,15,17-19,23H2,1-5H3/p+1/b16-14+/t21-,22+/m0/s1
InChIKeyIKLLJLKSBDTNCU-DSKXTJLJSA-O
ChEBI Ontology
Outgoing Relation(s)
15-methylhexadecasphing-4-enine-1-phosphocholine(1+) (CHEBI:71021) is a ammonium ion derivative (CHEBI:35274)
15-methylhexadecasphing-4-enine-1-phosphocholine(1+) (CHEBI:71021) is a organic cation (CHEBI:25697)
15-methylhexadecasphing-4-enine-1-phosphocholine(1+) (CHEBI:71021) is conjugate acid of 15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:71056)
Incoming Relation(s)
15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:71056) is conjugate base of 15-methylhexadecasphing-4-enine-1-phosphocholine(1+) (CHEBI:71021)
IUPAC Name 
(2S,3R,4E)-2-azaniumyl-3-hydroxy-15-methylhexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
15-methylhexadecasphingosine-1-phosphocholine(1+)ChEBI
UniProt Name  Source
15-methylhexadecasphing-4-enine-1-phosphocholineUniProt