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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:Hangtaimycin
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Accession:CHEBI:225673 term browser browse the term
Synonyms:exact_synonym: (2Z,4E)-N-[3-[[1-[(2Z,5R)-2-ethylidene-5-(1H-indol-3-ylmethyl)-4-methyl-3,6-dioxopiperazin-1-yl]-3-methoxy-1-oxobutan-2-yl]amino]-3-oxoprop-1-en-2-yl]-8-[2-[[[4-[[(2Z,4E)-hexa-2,4-dienoyl]amino]-2-methylpent-2-enoyl]amino]-hydroxymethyl]-6-oxo-2,3-dihydropyran-4-yl]octa-2,4-dienamide
 related_synonym: Formula=C50H61N7O11;   InChI=1S/C50H61N7O11/c1-9-11-15-23-41(58)52-31(4)25-30(3)45(61)55-47(63)40-26-34(27-43(60)68-40)20-16-13-12-14-17-24-42(59)53-32(5)46(62)54-44(33(6)67-8)50(66)57-38(10-2)48(64)56(7)39(49(57)65)28-35-29-51-37-22-19-18-21-36(35)37/h9-12,14-15,17-19,21-25,27,29,31,33,39-40,44,47,51,63H,5,13,16,20,26,28H2,1-4,6-8H3,(H,52,58)(H,53,59)(H,54,62)(H,55,61)/b11-9+,14-12+,23-15-,24-17-,30-25?,38-10-/t31?,33?,39-,40?,44?,47?/m1/s1;   InChIKey=LGOZWCQQHDTENY-PILILVDOSA-N;   SMILES=O=C/1N([C@@H](C(=O)N(\\C1=C/C)C(=O)C(NC(=O)C(NC(=O)/C=C\\C=C\\CCCC2=CC(=O)OC(C2)C(O)NC(=O)C(=CC(NC(=O)/C=C\\C=C\\C)C)C)=C)C(OC)C)CC=3C4=C(C=CC=C4)NC3)C
 xref: Chemspider:78445365

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