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CHEBI:61812 - 6-(O-phosphocholine)oxyhexanoate(1−)

ChEBI IDCHEBI:61812
ChEBI Name6-(O-phosphocholine)oxyhexanoate(1−)
Stars
ASCII Name6-(O-phosphocholine)oxyhexanoate(1-)
DefinitionA dialkyl phosphate anion formed by deprotonation of both the phosphoric and carboxylic acid groups of 6-(O-phosphocholine)hydroxyhexanoic acid.
Last Modified6 May 2014
Submitterzjosephs
DownloadsMolfile
FormulaC11H23NO6P
Net Charge-1
Average Mass296.280
Monoisotopic Mass296.12685
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)/p-1
InChIKeyQOEUIJHOOHSYPA-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
6-(O-phosphocholine)oxyhexanoate(1−) (CHEBI:61812) is a carboxylic acid anion (CHEBI:29067)
6-(O-phosphocholine)oxyhexanoate(1−) (CHEBI:61812) is a dialkyl phosphate anion (CHEBI:58944)
6-(O-phosphocholine)oxyhexanoate(1−) (CHEBI:61812) is conjugate base of 6-(O-phosphocholine)oxyhexanoate (CHEBI:61810)
6-(O-phosphocholine)oxyhexanoate(1−) (CHEBI:61812) is conjugate base of 6-(O-phosphocholine)oxyhexanoic acid betaine (CHEBI:61811)
Incoming Relation(s)
6-(O-phosphocholine)oxyhexanoate (CHEBI:61810) is conjugate acid of 6-(O-phosphocholine)oxyhexanoate(1−) (CHEBI:61812)
6-(O-phosphocholine)oxyhexanoic acid betaine (CHEBI:61811) is conjugate acid of 6-(O-phosphocholine)oxyhexanoate(1−) (CHEBI:61812)
IUPAC Name 
2,2-dimethyl-6-oxido-5,7-dioxa-2-azonia-6-phosphatridecan-13-oate 6-oxide
Synonyms  Source
6-(O-phosphorylcholine)hydroxyhexanoateChEBI
6-(O-phosphocholine)oxyhexanoate anionChEBI
6-(O-phosphorylcholine)hydroxycaproateChEBI
Citations