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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:D-octopine
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Accession:CHEBI:15805 term browser browse the term
Definition:The (1R)-1-carboxyethyl derivative of L-arginine. It is a metabolite released by plant tumours.
Synonyms:exact_synonym: N(2)-[(1R)-1-carboxyethyl]-L-arginine
 related_synonym: Formula=C9H18N4O4;   InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1;   InChIKey=IMXSCCDUAFEIOE-RITPCOANSA-N;   L-Arginine, N2-(1-carboxyethyl)-, (R)-;   L-Arginine, N2-[(1R)-1-carboxyethyl]-;   N(2)-(D-1-carboxyethyl)-L-arginine;   N2-(1-Carboxyethyl)-L-arginine;   N2-(D-1-Carboxyethyl)-L-arginine;   Octopine;   SMILES=C[C@@H](N[C@@H](CCCNC(N)=N)C(O)=O)C(O)=O
 alt_id: CHEBI:12631;   CHEBI:21810;   CHEBI:7366
 xref: CAS:34522-32-2;   KEGG:C04137;   KNApSAcK:C00001549;   MetaCyc:CPD-309;   PMID:16662161;   PMID:22496288;   PMID:8188582;   Reaxys:1729145;   Wikipedia:Octopine
 cyclic_relationship: is_conjugate_acid_of CHEBI:67037;   is_tautomer_of CHEBI:57520


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Term Annotations click to browse term
  CHEBI ontology 19762
    role 19708
      biological role 19708
        biochemical role 19312
          metabolite 19291
            xenobiotic metabolite 14269
              D-octopine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19762
    subatomic particle 19760
      composite particle 19760
        hadron 19760
          baryon 19760
            nucleon 19760
              atomic nucleus 19760
                atom 19760
                  main group element atom 19651
                    p-block element atom 19651
                      carbon group element atom 19570
                        carbon atom 19560
                          organic molecular entity 19560
                            organic group 18611
                              organic divalent group 18602
                                organodiyl group 18602
                                  carbonyl group 18519
                                    carbonyl compound 18519
                                      carboxylic acid 18195
                                        amino acid 14160
                                          alpha-amino acid 11717
                                            non-proteinogenic alpha-amino acid 1738
                                              D-alpha-amino acid 11
                                                D-arginine 0
                                                  D-arginine derivative 0
                                                    D-octopine 0
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