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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:ioxaglic acid
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Accession:CHEBI:31718 term browser browse the term
Definition:A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an acetyl(methyl)amino group at the 5-position.
Synonyms:exact_synonym: 3-[(N-{3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl}glycyl)amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
 related_synonym: Formula=C24H21I6N5O8;   InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);   InChIKey=TYYBFXNZMFNZJT-UHFFFAOYSA-N;   Ioxaglate;   N-(2-Hydroxyethyl)-2,4,6-triiodo-5-(2-(2,4,6-triiodo-3-(N-methylacetamido)-5-(methylcarbamoyl)benzamido)acetamido)isophthalamic acid;   SMILES=CNC(=O)c1c(I)c(N(C)C(C)=O)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(O)=O)c(I)c(C(=O)NCCO)c2I)c1I;   acide ioxaglique;   acido ioxaglico;   acidum ioxaglicum
 xref: Beilstein:8182534;   CAS:59017-64-0;   Drug_Central:1472;   KEGG:D01761;   LINCS:LSM-3781
 xref_mesh: MESH:D007485
 xref: PMID:11275812;   PMID:15206581;   PMID:6511272;   PMID:6869056;   Wikipedia:Ioxaglic_acid


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ioxaglic acid term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G F2 coagulation factor II, thrombin multiple interactions ISO Ioxaglic Acid inhibits the reaction [F2 protein binds to SERPINC1 protein] CTD PMID:2020943 NCBI chr 3:77,596,196...77,609,486
Ensembl chr 3:77,596,198...77,609,486 		JBrowse link
G Serpinc1 serpin family C member 1 multiple interactions ISO Ioxaglic Acid inhibits the reaction [F2 protein binds to SERPINC1 protein] CTD PMID:2020943 NCBI chr13:73,257,208...73,271,476
Ensembl chr13:73,257,179...73,284,293 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19922
    role 19894
      application 19735
        pharmaceutical 19543
          diagnostic agent 785
            diagnostic imaging agent 577
              radioopaque medium 185
                ioxaglic acid 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19922
    subatomic particle 19892
      composite particle 19892
        hadron 19920
          baryon 19892
            nucleon 19920
              atomic nucleus 19892
                atom 19892
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19805
                        carbon atom 19802
                          organic molecular entity 19775
                            heteroorganic entity 19556
                              organochalcogen compound 19315
                                organooxygen compound 19205
                                  carbon oxoacid 18694
                                    carboxylic acid 18691
                                      carboacyl group 17723
                                        univalent carboacyl group 17723
                                          carbamoyl group 17576
                                            carboxamide 17576
                                              dicarboxylic acid amide 3153
                                                dicarboxylic acid diamide 2700
                                                  benzenedicarboxamide 64
                                                    ioxaglic acid 2
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