<?xml version="1.0" encoding="UTF-8"?> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:obo_purl="http://purl.obolibrary.org/obo/" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/" xmlns:ns0="http://purl.obolibrary.org/obo/chebi#" xmlns:ns1="http://purl.obolibrary.org/obo/chebi#"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_168396"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_25384"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33853"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37581"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_38831"/> <rdfs:label>mycophenolic acid</rdfs:label> <skos:notation>CHEBI:168396</skos:notation> <obo_purl:IAO_0000115>A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>Beilstein:318158</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CAS:24280-93-1</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>DrugBank:DB01024</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Drug_Central:1860</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:D05096</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PDBeChem:MOA</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:11272311</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:15470161</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:16629948</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:16640327</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:17482154</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:17498396</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:18194117</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:18611107</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:18996104</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:19689217</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Patent:US4753935</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:318158</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Wikipedia:Mycophenolic_acid</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:168396</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <metadata_def:prefLabel>mycophenolic acid</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>Micofenolico acido</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Mycophenolate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Mycophenolsaeure</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>(E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>acide mycophenolique</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>acido micofenolico</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>acidum mycophenolicum</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>mycophenolic acid</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>mycophenolicacid</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_168396"/> <oboinowl_gen:hasAlternativeId>CHEBI:43973</oboinowl_gen:hasAlternativeId> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_25442"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35610"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35703"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35705"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_149553"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_53746"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_76964"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_78298"/> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C17H20O6</obo_purl:chebi/formula> <obo_purl:chebi/inchi>InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>HPNSFSBZBAHARI-RUDMXATFSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>320.33710</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>320.12599</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O</obo_purl:chebi/smiles> <ns0:is_conjugate_acid_of rdf:resource="http://purl.obolibrary.org/obo/CHEBI_62932"/> <ns1:has_functional_parent rdf:resource="http://purl.obolibrary.org/obo/CHEBI_38355"/> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_62932"> <ns0:is_conjugate_base_of> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_168396"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_168396"/> </rdf:Description> </ns0:is_conjugate_base_of> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/ECTO_9000557"> <obo_purl:RO_0002309 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_168396"/> </rdf:Description> </rdf:RDF>