CHEBI:44887 - (S)-1,2-distearoylphosphatidylethanolaminium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-1,2-distearoylphosphatidylethanolaminium
ChEBI ID CHEBI:44887
ChEBI ASCII Name (S)-1,2-distearoylphosphatidylethanolaminium
Definition An ammonium ion that is the conjugate acid of (S)-1,2-distearoylphosphatidylethanolamine, arising from protonation of the amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C41H83NO8P
Net Charge +1
Average Mass 749.07342
Monoisotopic Mass 748.58508
InChI InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/p+1/t39-/m0/s1
InChIKey LVNGJLRDBYCPGB-KDXMTYKHSA-O
SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(O)(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC
ChEBI Ontology
Outgoing (S)-1,2-distearoylphosphatidylethanolaminium (CHEBI:44887) is a 1,2-distearoylphosphatidylethanolaminium (CHEBI:47769)
(S)-1,2-distearoylphosphatidylethanolaminium (CHEBI:44887) is conjugate acid of (S)-1,2-distearoylphosphatidylethanolamine (CHEBI:47767)
Incoming (S)-1,2-distearoylphosphatidylethanolamine (CHEBI:47767) is conjugate base of (S)-1,2-distearoylphosphatidylethanolaminium (CHEBI:44887)
IUPAC Name
(7S)-4-hydroxy-7-(octadecanoyloxy)-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide
Synonym Source
PHOSPHATIDYLETHANOLAMINE PDBeChem
Manual Xref Database
PEE PDBeChem
View more database links
Last Modified
11 January 2012