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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:Aeruginoguanidine 98-A
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Accession:CHEBI:202173 term browser browse the term
Synonyms:exact_synonym: [4-[(1R,2R)-2-[[(2S)-2-[[(2S)-5-[[N'-[(2Z)-3,7-dimethylocta-2,6-dienyl]carbamimidoyl]amino]-2-(methylamino)pentanoyl]-methylamino]-5-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]pentanoyl]amino]-1-sulooxypropyl]-2-(sulooxymethyl)phenyl] hydrogen sulate
 related_synonym: Formula=C39H67N9O14S3;   InChI=1S/C39H67N9O14S3/c1-26(2)12-9-13-28(5)19-23-46-39(41)43-20-10-14-32(42-7)37(50)48(8)33(15-11-21-44-38(40)45-22-18-27(3)4)36(49)47-29(6)35(62-65(57,58)59)30-16-17-34(61-64(54,55)56)31(24-30)25-60-63(51,52)53/h12,16-19,24,29,32-33,35,42H,9-11,13-15,20-23,25H2,1-8H3,(H,47,49)(H3,40,44,45)(H3,41,43,46)(H,51,52,53)(H,54,55,56)(H,57,58,59)/b28-19-/t29-,32+,33+,35+/m1/s1;   InChIKey=FZNIATZASYIKQE-KRJWMNQKSA-N;   SMILES=S(=O)(=O)(OC1=C(C=C([C@@H](OS(=O)(=O)O)[C@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC)CCCNC(=NC/C=C(\\CCC=C(C)C)/C)N)C)CCCNC(=NCC=C(C)C)N)C)C=C1)COS(=O)(=O)O)O
 xref: Chemspider:8661540


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  CHEBI ontology 0
    chemical entity 0
      group 0
        organic group 0
          amino-acid residue 0
            peptide 0
              Aeruginoguanidine 98-A 0
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  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
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              peptide 0
                                                Aeruginoguanidine 98-A 0
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