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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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        biochemical role 460
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            xenobiotic metabolite 77
              human xenobiotic metabolite 39
                2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3- phosphocholine 0
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  CHEBI ontology 501
    subatomic particle 501
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                            hydroxides 423
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                                pnictogen oxoacid 14
                                  phosphorus oxoacid 9
                                    phosphoric acids 9
                                      phosphoric acid 9
                                        phosphoric acid derivative 8
                                          phosphate 8
                                            organic phosphate 8
                                              phospholipid 2
                                                glycerophospholipid 2
                                                  glycerophosphocholine 1
                                                    lysophosphatidylcholine 0
                                                      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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