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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:Anacyclamide A9P
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Accession:CHEBI:221774 term browser browse the term
Synonyms:exact_synonym: 2-[(3S,6S,9S,12S,15S,18S,21S,24S,27S)-15-(4-aminobutyl)-9-(2-amino-2-oxoethyl)-18-(carboxymethyl)-3-(hydroxymethyl)-24-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-6,12-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1,4,7,10,13,16,19,22,25-nonazabicyclo[25.3.0]triacontan-21-yl]acetic acid
 related_synonym: Formula=C52H79N11O16;   InChI=1S/C52H79N11O16/c1-27(2)16-19-79-31-14-12-30(13-15-31)22-35-47(73)59-38(25-43(68)69)50(76)60-37(24-42(66)67)49(75)55-32(10-7-8-17-53)44(70)56-33(20-28(3)4)45(71)58-36(23-41(54)65)48(74)57-34(21-29(5)6)46(72)62-39(26-64)52(78)63-18-9-11-40(63)51(77)61-35/h12-16,28-29,32-40,64H,7-11,17-26,53H2,1-6H3,(H2,54,65)(H,55,75)(H,56,70)(H,57,74)(H,58,71)(H,59,73)(H,60,76)(H,61,77)(H,62,72)(H,66,67)(H,68,69)/t32-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1;   InChIKey=AJQSPEKZRLZWLQ-LCQMPJFHSA-N;   SMILES=O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CO)=O)CC(C)C)=O)CC(=O)N)=O)CC(C)C)=O)CCCCN)CC(=O)O)CC(=O)O)CC3=CC=C(OCC=C(C)C)C=C3)CCC2


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19893
    chemical entity 19891
      group 19844
        organic group 18992
          amino-acid residue 11447
            peptide 11447
              Anacyclamide A9P 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    p-block element atom 19830
                      carbon group element atom 19771
                        carbon atom 19767
                          organic molecular entity 19767
                            heteroorganic entity 19525
                              organochalcogen compound 19286
                                organooxygen compound 19202
                                  carbon oxoacid 18668
                                    carboxylic acid 18665
                                      carboacyl group 17718
                                        univalent carboacyl group 17718
                                          carbamoyl group 17570
                                            carboxamide 17570
                                              peptide 11447
                                                Anacyclamide A9P 0
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