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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-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine
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Accession:CHEBI:138940 term browser browse the term
Definition:A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are specified as hexadecyl and 8-carboxyoctanoyl respectively.
Synonyms:exact_synonym: (2R)-2-[(8-carboxyoctanoyl)oxy]-3-(hexadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
 related_synonym: 1-O-hexadecyl-2-azelaoyl-sn-glycero-3-phosphocholine;   1-O-hexadecyl-2-nonadioyl-sn-glycero-3-phosphocholine;   Formula=C33H66NO9P;   InChI=1S/C33H66NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-40-29-31(30-42-44(38,39)41-28-26-34(2,3)4)43-33(37)25-22-19-17-18-21-24-32(35)36/h31H,5-30H2,1-4H3,(H-,35,36,38,39)/t31-/m1/s1;   InChIKey=ZDFOCDTXDPKJKA-WJOKGBTCSA-N;   PC(O-16:0/9:0(COOH));   SMILES=C(=O)(CCCCCCCC(O)=O)O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COCCCCCCCCCCCCCCCC;   azelaoyl PAF
 xref: PMID:19104905;   PMID:25247479;   Reaxys:15471660
 cyclic_relationship: is_conjugate_acid_of CHEBI:138269


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  CHEBI ontology 19810
    role 19758
      biological role 19758
        antimicrobial agent 17329
          antibacterial agent 13028
            nonanedioic acid 14
              1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine 0
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  CHEBI ontology 19810
    subatomic particle 19808
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                              oxoacid 18235
                                pnictogen oxoacid 10181
                                  phosphorus oxoacid 9072
                                    phosphoric acids 7831
                                      phosphoric acid 7831
                                        phosphoric acid derivative 7511
                                          phosphate 7511
                                            organic phosphate 7510
                                              phospholipid 290
                                                glycerophospholipid 197
                                                  glycerophosphocholine 116
                                                    alkylacylglycero-3-phosphocholine 30
                                                      alkyl,acyl-sn-glycero-3-phosphocholine 30
                                                        2-acyl-1-alkyl-sn-glycero-3-phosphocholine 30
                                                          1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine 0
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