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CHEBI:61811 - 6-(O-phosphocholine)oxyhexanoic acid betaine

ChEBI IDCHEBI:61811
ChEBI Name6-(O-phosphocholine)oxyhexanoic acid betaine
Stars
DefinitionAn ammonium betaine formed by deprotonation of the phosphoric acid group of 6-(O-phosphocholine)hydroxyhexanoic acid.
Last Modified16 May 2011
Submitterzjosephs
DownloadsMolfile
FormulaC11H24NO6P
Net Charge0
Average Mass297.288
Monoisotopic Mass297.13412
SMILESC[N+](C)(C)CCOP(=O)([O-])OCCCCCC(=O)O
InChIInChI=1S/C11H24NO6P/c1-12(2,3)8-10-18-19(15,16)17-9-6-4-5-7-11(13)14/h4-10H2,1-3H3,(H-,13,14,15,16)
InChIKeyQOEUIJHOOHSYPA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-(O-phosphocholine)oxyhexanoic acid betaine (CHEBI:61811) is a ammonium betaine (CHEBI:35284)
6-(O-phosphocholine)oxyhexanoic acid betaine (CHEBI:61811) is a phosphocholines (CHEBI:36700)
6-(O-phosphocholine)oxyhexanoic acid betaine (CHEBI:61811) is conjugate acid of 6-(O-phosphocholine)oxyhexanoate(1−) (CHEBI:61812)
6-(O-phosphocholine)oxyhexanoic acid betaine (CHEBI:61811) is conjugate base of 6-(O-phosphocholine)oxyhexanoic acid (CHEBI:61809)
6-(O-phosphocholine)oxyhexanoic acid betaine (CHEBI:61811) is tautomer of 6-(O-phosphocholine)oxyhexanoate (CHEBI:61810)
Incoming Relation(s)
6-(O-phosphocholine)oxyhexanoic acid (CHEBI:61809) is conjugate acid of 6-(O-phosphocholine)oxyhexanoic acid betaine (CHEBI:61811)
6-(O-phosphocholine)oxyhexanoate(1−) (CHEBI:61812) is conjugate base of 6-(O-phosphocholine)oxyhexanoic acid betaine (CHEBI:61811)
6-(O-phosphocholine)oxyhexanoate (CHEBI:61810) is tautomer of 6-(O-phosphocholine)oxyhexanoic acid betaine (CHEBI:61811)
IUPAC Name 
5-carboxypentyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
5-carboxypentyl 2-(trimethylammonio)ethyl phosphateIUPAC
6-(O-phosphorylcholine)hydroxyhexanoic acidChEBI
6-(phosphocholine)oxycaproic acidChEBI
Citations