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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:Sanglifehrin B
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Accession:CHEBI:222898 term browser browse the term
Synonyms:exact_synonym: (3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-[(2E,4E,8S,9S)-10-[(2S,3R,6R,9S,11S)-9-ethyl-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undec-4-en-2-yl]-9-hydroxy-8-methyldeca-2,4-dien-2-yl]-10,12-dihydroxy-3-[(2-hydroxyphenyl)methyl]-11-methyl-9-(3-oxobutyl)-6-propan-2-yl-19-oxa-1,4,7,25-tetrazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
 related_synonym: Formula=C60H89N5O12;   InChI=1S/C60H89N5O12/c1-11-43-32-40(8)60(63-55(43)71)39(7)31-38(6)52(77-60)34-50(69)36(4)21-14-12-15-22-37(5)51-27-17-13-16-25-48(67)42(10)54(70)45(29-28-41(9)66)56(72)62-53(35(2)3)57(73)61-47(33-44-23-18-19-26-49(44)68)58(74)65-30-20-24-46(64-65)59(75)76-51/h12-13,15-19,22-23,25-26,31,35-36,38,40,42-43,45-48,50-54,64,67-70H,11,14,20-21,24,27-30,32-34H2,1-10H3,(H,61,73)(H,62,72)(H,63,71)/b15-12+,17-13+,25-16+,37-22+/t36-,38+,40-,42-,43-,45+,46-,47-,48-,50-,51-,52-,53-,54+,60-/m0/s1;   InChIKey=OOMJFCAHDKEMST-OUDVSWMGSA-N;   SMILES=O=C1N2N[C@H](C(=O)O[C@H](/C(=C/C=C/CC[C@@H]([C@@H](O)C[C@@H]3O[C@@]4(NC(=O)[C@@H](CC)C[C@@H]4C)C(C)=C[C@H]3C)C)/C)CC=CC=C[C@@H]([C@@H]([C@H]([C@H](C(N[C@H](C(N[C@H]1CC5=C(O)C=CC=C5)=O)C(C)C)=O)CCC(=O)C)O)C)O)CCC2

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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
              cyclic peptide 0
                Sanglifehrin B 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
                                                cyclic peptide 0
                                                  Sanglifehrin B 0
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