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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:2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3- phosphocholine
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Accession:CHEBI:138101 term browser browse the term
Definition:A prostanoid-LPC that is the ammonium betaine of a 2-(prostaglandin H2)-sn-glycero-3-phosphocholine arising from deprotonation of the phosphate OH group; major species at pH 7.3.
Synonyms:exact_synonym: (2R)-3-hydroxy-2-{[(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}hept-5-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
 related_synonym: 2-(prostaglandin H2)-sn-glycero-3-phosphocholine;   2-[(9S,11R)-epidioxy-15(S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphocholine;   Formula=C28H50NO10P;   InChI=1S/C28H50NO10P/c1-5-6-9-12-22(31)15-16-25-24(26-19-27(25)39-38-26)13-10-7-8-11-14-28(32)37-23(20-30)21-36-40(33,34)35-18-17-29(2,3)4/h7,10,15-16,22-27,30-31H,5-6,8-9,11-14,17-21H2,1-4H3/b10-7-,16-15+/t22-,23+,24+,25+,26-,27+/m0/s1;   InChIKey=QNEYMHCJQNZTAZ-BWEJQOJRSA-N;   SMILES=P(=O)([O-])(OCC[N+](C)(C)C)OC[C@@H](CO)OC(CCC/C=C\\C[C@H]1[C@@H]2C[C@H]([C@@H]1/C=C/[C@H](CCCCC)O)OO2)=O
 xref: PMID:27642067


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  CHEBI ontology 19841
    role 19817
      biological role 19815
        biochemical role 19529
          metabolite 19515
            xenobiotic metabolite 15460
              human xenobiotic metabolite 14829
                2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3- phosphocholine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      chalcogen 19545
                        oxygen atom 19520
                          oxygen molecular entity 19520
                            hydroxides 19332
                              oxoacid 18768
                                pnictogen oxoacid 13221
                                  phosphorus oxoacid 12425
                                    phosphoric acids 11425
                                      phosphoric acid 11425
                                        phosphoric acid derivative 11234
                                          phosphate 11233
                                            organic phosphate 11233
                                              phospholipid 316
                                                glycerophospholipid 211
                                                  glycerophosphocholine 124
                                                    lysophosphatidylcholine 34
                                                      1-lysophosphatidylcholine 0
                                                        2-acyl-sn-glycero-3-phosphocholine 0
                                                          oxidized 2-acyl-sn-glycero-3-phosphocholine zwitterion 0
                                                            2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3- phosphocholine 0
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