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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:PAX12
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Accession:CHEBI:201060 term browser browse the term
Synonyms:exact_synonym: (3R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[[(3S,6R,9R,12S,15R)-3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]amino]pentan-2-yl]amino]-2-oxoethyl]-3-hydroxyheptadecanamide
 related_synonym: Formula=C55H107N15O9;   InChI=1S/C55H107N15O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-25-40(71)38-47(72)64-39-48(73)65-42(31-24-37-63-55(60)61)50(75)67-46-30-18-23-36-62-49(74)41(26-14-19-32-56)66-51(76)43(27-15-20-33-57)68-52(77)44(28-16-21-34-58)69-53(78)45(70-54(46)79)29-17-22-35-59/h40-46,71H,2-39,56-59H2,1H3,(H,62,74)(H,64,72)(H,65,73)(H,66,76)(H,67,75)(H,68,77)(H,69,78)(H,70,79)(H4,60,61,63)/t40-,41+,42+,43-,44-,45+,46-/m1/s1;   InChIKey=BUDKJEZKTRMYTO-IGGZARBTSA-N;   SMILES=O=C1N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(NCCCC[C@H]1NC(=O)[C@@H](NC(=O)CNC(=O)C[C@H](O)CCCCCCCCCCCCCC)CCCN=C(N)N)=O)CCCCN)CCCCN)CCCCN)CCCCN
 xref: Chemspider:78439623

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Path 1
Term Annotations click to browse term
  CHEBI ontology 2
    chemical entity 2
      group 2
        organic group 0
          amino-acid residue 0
            peptide 0
              oligopeptide 0
                PAX12 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            heteroorganic entity 2
                              organochalcogen compound 1
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              peptide 0
                                                oligopeptide 0
                                                  PAX12 0
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