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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:1-O-caproyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine
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Accession:CHEBI:61043 term browser browse the term
Definition:A 1,2-diacyl-sn-glycero-3-phosphocholine having caproyl and 5-oxovaleryl groups at the 1- and 2-positions respectively.
Synonyms:exact_synonym: (7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(5-oxopentanoyl)oxy]-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide
 related_synonym: 1-O-caproyl-2-O-(5-oxovaleryl)-sn-glycero-3-PC;   C6OVPC;   Formula=C19H37NO9P;   InChI=1S/C19H36NO9P/c1-5-6-7-10-18(22)26-15-17(29-19(23)11-8-9-13-21)16-28-30(24,25)27-14-12-20(2,3)4/h13,17H,5-12,14-16H2,1-4H3/p+1/t17-/m1/s1;   InChIKey=ASQYHCJCDUDTTH-QGZVFWFLSA-O;   SMILES=[H]C(=O)CCCC(=O)O[C@H](COC(=O)CCCCC)COP(O)(=O)OCC[N+](C)(C)C
 xref: PMID:11744722


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  CHEBI ontology 19875
    role 19825
      application 19494
        pharmaceutical 19364
          drug 19364
            1,2-diacyl-sn-glycero-3-phosphocholine(1+) 4
              1-O-caproyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine 0
Path 2
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  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    main group molecular entity 19763
                      s-block molecular entity 19511
                        hydrogen molecular entity 19503
                          hydrides 18775
                            inorganic hydride 17505
                              pnictogen hydride 17478
                                nitrogen hydride 17323
                                  ammonium 8231
                                    ammonium ion derivative 8227
                                      quaternary ammonium ion 5092
                                        phosphatidylcholine(1+) 5
                                          1,2-diacyl-sn-glycero-3-phosphocholine(1+) 4
                                            1-O-caproyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine 0
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