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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:octadecanoate
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Accession:CHEBI:25629 term browser browse the term
Definition:A fatty acid anion 18:0 that is the conjugate base of octadecanoic acid (stearic acid). Stearates have a variety of uses in the pharmaceutical industry.
Synonyms:related_synonym: CH3-[CH2]16-COO(-);   Formula=C18H35O2;   InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/p-1;   InChIKey=QIQXTHQIDYTFRH-UHFFFAOYSA-M;   SMILES=C(CCCCCCCCCC)CCCCCCC(=O)[O-];   octadecanoic acid, ion(1-);   stearate;   stearic acid, ion(1-)
 alt_id: CHEBI:231588
 xref: Beilstein:3590530;   CAS:646-29-7;   Gmelin:344065;   KEGG:C01530;   MetaCyc:STEARIC_ACID;   PMID:16401590;   PMID:19184617;   PMID:3180776;   PMID:7452460;   Reaxys:3590530
 cyclic_relationship: is_conjugate_base_of CHEBI:28842

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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            eukaryotic metabolite 0
              plant metabolite 0
                octadecanoate 0
                  (R)-10-hydroxyoctadecanoate 0
                  10,13-dihydroxyoctadecanoate 0
                  18-hydroxyoctadecanoate 0
                  2-hydroxyoctadecanoate + 0
                  2-oxooctadecanoate 0
                  3,18-dihydroxyoctadecanoate 0
                  3-hydroxyoctadecanoate 0
                  9,10-epoxy-18-hydroxyoctadecanoate + 0
                  N(6)-stearoyl-L-lysine residue 0
                  N-stearoyl-3-ketodihydrosphingosine 0
                  N-stearoyl-L-phenylalanine(1-) 0
                  S-stearoyl-L-cysteine group 0
                  aluminium tristearate 0
                  calcium stearate 0
                  sodium octadecanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic ion 0
                              organic anion 0
                                carboxylic acid anion 0
                                  monocarboxylic acid anion 0
                                    fatty acid anion 0
                                      saturated fatty acid anion 0
                                        straight-chain saturated fatty acid anion 0
                                          octadecanoate 0
                                            (R)-10-hydroxyoctadecanoate 0
                                            10,13-dihydroxyoctadecanoate 0
                                            18-hydroxyoctadecanoate 0
                                            2-hydroxyoctadecanoate + 0
                                            2-oxooctadecanoate 0
                                            3,18-dihydroxyoctadecanoate 0
                                            3-hydroxyoctadecanoate 0
                                            9,10-epoxy-18-hydroxyoctadecanoate + 0
                                            N(6)-stearoyl-L-lysine residue 0
                                            N-stearoyl-3-ketodihydrosphingosine 0
                                            N-stearoyl-L-phenylalanine(1-) 0
                                            S-stearoyl-L-cysteine group 0
                                            aluminium tristearate 0
                                            calcium stearate 0
                                            sodium octadecanoate 0
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