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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:Chlorotyrobetaine
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Accession:CHEBI:219075 term browser browse the term
Synonyms:exact_synonym: [1-[[(2S)-1-[[1-[[(1S)-1-carboxyethyl]amino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(3-chloro-4-hydroxyphenyl)-1-oxopropan-2-yl]-trimethylazanium
 related_synonym: Formula=C30H42ClN4O8;   InChI=1S/C30H41ClN4O8/c1-16(2)26(38)25(29(41)32-17(3)30(42)43)34-27(39)22(14-18-7-10-20(36)11-8-18)33-28(40)23(35(4,5)6)15-19-9-12-24(37)21(31)13-19/h7-13,16-17,22-23,25-26,38H,14-15H2,1-6H3,(H5-,32,33,34,36,37,39,40,41,42,43)/p+1/t17-,22-,23?,25?,26?/m0/s1;   InChIKey=DJIZIWJIERJUPX-IIACXZLJSA-O;   SMILES=ClC1=C(O)C=CC(=C1)CC([N+](C)(C)C)C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)O)C)C(O)C(C)C)CC2=CC=C(O)C=C2

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Term Annotations click to browse term
  CHEBI ontology 2
    chemical entity 2
      group 2
        organic group 0
          amino-acid residue 0
            peptide 0
              Chlorotyrobetaine 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
                                                Chlorotyrobetaine 0
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