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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-dodecanoyl-2-O-pentacosanoyl-sn-glycero-3-phosphocholine
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Accession:CHEBI:44699 term browser browse the term
Definition:A 1,2-diacyl-sn-glycero-3-phosphocholine having a dodecanoyl group at the 1-position and a pentacosanoyl group at the 2-position.
Synonyms:exact_synonym: (7R)-7-[(dodecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphatritriacontan-1-aminium 4-oxide
 related_synonym: (2R)-3-(dodecanoyloxy)-2-(pentacosanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate;   2-[[(2R)-3-dodecanoyloxy-2-pentacosanoyloxypropoxy]hydroxyphosphoryl]oxyethyltrimethylazanium;   7-[(DODECANOYLOXY)METHYL]-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-3,5,8-TRIOXA-4-PHOSPHADOTRIACONTAN-1-AMINIUM 4-OXIDE;   Formula=C45H91NO8P;   InChI=1S/C45H90NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-15-13-11-9-7-2/h43H,6-42H2,1-5H3/p+1/t43-/m1/s1;   InChIKey=KWHAREAUZBVBDS-VZUYHUTRSA-O;   SMILES=CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(O)(=O)OCC[N+](C)(C)C
 xref: PDB:1ZHN;   PDBeChem:PC6;   PMID:16002697


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  CHEBI ontology 19883
    role 19833
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          1-O-dodecanoyl-2-O-pentacosanoyl-sn-glycero-3-phosphocholine 0
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  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    main group molecular entity 19771
                      s-block molecular entity 19520
                        hydrogen molecular entity 19512
                          hydrides 18784
                            inorganic hydride 17511
                              pnictogen hydride 17484
                                nitrogen hydride 17327
                                  ammonium 8230
                                    ammonium ion derivative 8226
                                      quaternary ammonium ion 5089
                                        phosphatidylcholine(1+) 5
                                          1,2-diacyl-sn-glycero-3-phosphocholine(1+) 4
                                            1-O-dodecanoyl-2-O-pentacosanoyl-sn-glycero-3-phosphocholine 0
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