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 No supplier information found for this compound.
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