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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:Bottromycin A2 acid
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Accession:CHEBI:206083 term browser browse the term
Synonyms:exact_synonym: (3R)-3-[[(2S,3S)-2-[[(2S)-2-[[(6S,9S,12S,13R)-6-tert-butyl-13-methyl-2,8,11-trioxo-9-propan-2-yl-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]-3,3-dimethylbutanoyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid
 related_synonym: Formula=C41H60N8O7S;   InChI=1S/C41H60N8O7S/c1-22(2)29-35(53)48-32(40(5,6)7)34(43-21-27(50)49-18-16-23(3)31(49)37(55)45-29)47-33(41(8,9)10)38(56)46-30(24(4)25-14-12-11-13-15-25)36(54)44-26(20-28(51)52)39-42-17-19-57-39/h11-15,17,19,22-24,26,29-33H,16,18,20-21H2,1-10H3,(H,43,47)(H,44,54)(H,45,55)(H,46,56)(H,48,53)(H,51,52)/t23-,24+,26-,29+,30+,31+,32-,33-/m1/s1;   InChIKey=XNEHMJCUBKZYMV-CRJLVRDWSA-N;   SMILES=S1C(=NC=C1)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=NCC(=O)N3[C@H](C(=O)N[C@H](C(N[C@H]2C(C)(C)C)=O)C(C)C)[C@H](C)CC3)C(C)(C)C)[C@H](C4=CC=CC=C4)C)CC(=O)O
 xref: Chemspider:26366160

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  CHEBI ontology 0
    chemical entity 0
      group 0
        organic group 0
          amino-acid residue 0
            peptide 0
              Bottromycin A2 acid 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
                                                Bottromycin A2 acid 0
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