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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:11-hydroxy-N-desmethyl 12-keto pretubulysin D
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Accession:CHEBI:189378 term browser browse the term
Synonyms:exact_synonym: (2S,4R)-4-[[2-[(3S)-1-hydroxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-2-oxopentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
 related_synonym: Formula=C35H51N5O7S;   InChI=1S/C35H51N5O7S/c1-7-21(4)28(39-32(44)26-15-11-12-16-40(26)6)33(45)38-27(20(2)3)29(41)30(42)34-37-25(19-48-34)31(43)36-24(17-22(5)35(46)47)18-23-13-9-8-10-14-23/h8-10,13-14,19-22,24,26-28,30,42H,7,11-12,15-18H2,1-6H3,(H,36,43)(H,38,45)(H,39,44)(H,46,47)/t21-,22-,24+,26+,27-,28-,30?/m0/s1;   InChIKey=KCPIHEYQIBMMLE-BDVXFMJFSA-N;   SMILES=S1C(=NC(C(=O)N[C@H](C[C@H](C)C(O)=O)CC2=CC=CC=C2)=C1)C(O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3N(CCCC3)C)[C@H](CC)C)C(C)C
 xref: Chemspider:78442644


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    chemical entity 19840
      atom 19809
        nonmetal atom 19747
          nitrogen atom 18962
            nitrogen molecular entity 18934
              organonitrogen compound 18783
                11-hydroxy-N-desmethyl 12-keto pretubulysin D 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    main group molecular entity 19759
                      s-block molecular entity 19628
                        hydrogen molecular entity 19614
                          hydrides 19087
                            inorganic hydride 18091
                              pnictogen hydride 18080
                                nitrogen hydride 17987
                                  azane 17796
                                    ammonia 17795
                                      organic amino compound 17795
                                        amino acid 15943
                                          non-proteinogenic amino acid 3987
                                            gamma-amino acid 184
                                              11-hydroxy-N-desmethyl 12-keto pretubulysin D 0
paths to the root