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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:1-O-(N-benzyloxycarbonylaminoethyl)-3-O-benzoyl-alpha-anthroside
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Accession:CHEBI:61066 term browser browse the term
Definition:A doubly-protected aminoglycoside composed of glucose deoxygenated at C-4 and C-6 and having a methyl substituent at C-2, a 3-hydroxy-3-methylbutanamide group at C-4, a benzoyl protecting group at C-3 and a benzyloxycarbonyl (Z)-protected aminoethyl group at C-1
Synonyms:exact_synonym: benzyl [2-({3-O-benzoyl-4,6-dideoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-alpha-D-glucopyranosyl}oxy)ethyl]carbamate
 related_synonym: Formula=C29H38N2O9;   InChI=1S/C29H38N2O9/c1-19-23(31-22(32)17-29(2,3)35)24(40-26(33)21-13-9-6-10-14-21)25(36-4)27(39-19)37-16-15-30-28(34)38-18-20-11-7-5-8-12-20/h5-14,19,23-25,27,35H,15-18H2,1-4H3,(H,30,34)(H,31,32)/t19-,23-,24+,25-,27+/m1/s1;   InChIKey=WJXPCJRIOGIVLM-USLKBVJRSA-N;   N-benzyloxycarbonylaminoethyl 3-O-benzoyl-4,6-dideoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-alpha-D-glucoside;   SMILES=CO[C@H]1[C@@H](OCCNC(=O)OCc2ccccc2)O[C@H](C)[C@@H](NC(=O)CC(C)(C)O)[C@@H]1OC(=O)c1ccccc1;   benzyl [2-({3-O-benzoyl-4,6-dideoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-alpha-D-glucosyl}oxy)ethyl]carbamate
 xref: PMID:18155682


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  CHEBI ontology 26041
    role 25957
      biological role 25936
        biochemical role 25170
          metabolite 25100
            fundamental metabolite 15686
              galactose 210
                D-galactose 210
                  D-galactopyranose 210
                    1-O-(N-benzyloxycarbonylaminoethyl)-3-O-benzoyl-alpha-anthroside 0
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  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    p-block element atom 25841
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            heteroorganic entity 24773
                              organochalcogen compound 24384
                                organooxygen compound 24061
                                  carbohydrates and carbohydrate derivatives 16791
                                    carbohydrate 16791
                                      monosaccharide 4980
                                        aldose 3333
                                          aldohexose 2958
                                            D-aldohexose 2950
                                              D-galactose 210
                                                D-galactopyranose 210
                                                  1-O-(N-benzyloxycarbonylaminoethyl)-3-O-benzoyl-alpha-anthroside 0
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