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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:6-(O-phosphocholine)oxyhexanoic acid betaine
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Accession:CHEBI:61811 term browser browse the term
Definition:An ammonium betaine formed by deprotonation of the phosphoric acid group of 6-(O-phosphocholine)hydroxyhexanoic acid.
Synonyms:exact_synonym: 5-carboxypentyl 2-(trimethylazaniumyl)ethyl phosphate
 related_synonym: 5-carboxypentyl 2-(trimethylammonio)ethyl phosphate;   6-(O-phosphorylcholine)hydroxyhexanoic acid;   6-(phosphocholine)oxycaproic acid;   Formula=C11H24NO6P;   InChI=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);   InChIKey=QOEUIJHOOHSYPA-UHFFFAOYSA-N;   SMILES=C[N+](C)(C)CCOP([O-])(=O)OCCCCCC(O)=O
 xref: PMID:9184912
 cyclic_relationship: is_conjugate_acid_of CHEBI:61812;   is_conjugate_base_of CHEBI:61809;   is_tautomer_of CHEBI:61810


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  CHEBI ontology 21771
    role 21750
      biological role 21748
        molecular messenger 18852
          neurotransmitter 11398
            choline 3684
              choline ester 128
                phosphocholines 128
                  6-(O-phosphocholine)oxyhexanoic acid betaine 0
Path 2
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  CHEBI ontology 21771
    subatomic particle 21757
      composite particle 21757
        hadron 21757
          baryon 21757
            nucleon 21757
              atomic nucleus 21757
                atom 21757
                  main group element atom 21674
                    main group molecular entity 21674
                      s-block molecular entity 21217
                        hydrogen molecular entity 21157
                          hydrides 20378
                            inorganic hydride 18092
                              pnictogen hydride 18055
                                nitrogen hydride 17883
                                  ammonium 8102
                                    ammonium ion derivative 8098
                                      quaternary ammonium ion 5256
                                        cholines 4926
                                          choline 3684
                                            choline ester 128
                                              phosphocholines 128
                                                6-(O-phosphocholine)oxyhexanoic acid betaine 0
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