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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:aliskiren
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Accession:CHEBI:601027 term browser browse the term
Definition:A monomethoxybenzene compound having a 3-methoxypropoxy group at the 2-position and a multi-substituted branched alkyl substituent at the 4-position.
Synonyms:exact_synonym: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(propan-2-yl)nonanamide
 related_synonym: Formula=C30H53N3O6;   InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1;   InChIKey=UXOWGYHJODZGMF-QORCZRPOSA-N;   SMILES=COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC;   SPP 100
 alt_id: CHEBI:41356;   CHEBI:580746
 xref: Beilstein:8740878;   CAS:173334-57-1;   DrugBank:DB01258;   Drug_Central:119;   KEGG:D03208;   LINCS:LSM-2653
 xref_mesh: MESH:C446481
 xref: PDBeChem:C41;   PMID:19358611;   PMID:19457666;   Wikipedia:Aliskiren

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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      application 0
        pharmaceutical 0
          drug 0
            cardiovascular drug 0
              antihypertensive agent 0
                aliskiren 0
                  aliskiren fumarate 0
Path 2
Term Annotations click to browse term
  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
                                              monocarboxylic acid amide 0
                                                aliskiren 0
                                                  aliskiren fumarate 0
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