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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 15-methylhexadecasphing-4-enine-1-phosphocholine(1+)
ChEBI ID CHEBI:71021
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
Download Molfile XML SDF
Formula C22H48N2O5P
Net Charge +1
Average Mass 451.60070
Monoisotopic Mass 451.32954
InChI InChI=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
InChIKey IKLLJLKSBDTNCU-DSKXTJLJSA-O
SMILES CC(C)CCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])COP([O-])(=O)OCC[N+](C)(C)C
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
15-methylhexadecasphing-4-enine-1-phosphocholine UniProt
15-methylhexadecasphingosine-1-phosphocholine(1+) ChEBI
Last Modified
25 November 2014