{ "iri" : "http://purl.obolibrary.org/obo/CHEBI_136814", "lang" : "en", "description" : [ "A 1,3-diglyceride in which both acyl groups are specified as octanoyl." ], "synonyms" : [ "2-hydroxypropane-1,3-diyl dioctanoate", "1,3-Dicapryloylglycerol", "1,3-dicaprylin", "DAG(8:0/0:0/8:0)", "DG(8:0/0:0/8:0)", "diacylglycerol (8:0/0:0/8:0)" ], "annotation" : { "charge" : [ "0" ], "formula" : [ "C19H36O5" ], "has_dbxref" : [ "CAS:1429-66-9", "HMDB:HMDB0092900", "MetaCyc:CPD0-1815", "PMID:11607161", "PMID:1597192", "PMID:18781647", "PMID:2163772", "PMID:2743997", "PMID:3233220", "PMID:4026306", "PMID:7993666", "PMID:8077290", "PMID:8280103", "PMID:8387343", "Reaxys:1801556" ], "has_obo_namespace" : [ "chebi_ontology" ], "id" : [ "CHEBI:136814" ], "inchi" : [ "InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-15-17(20)16-24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3" ], "inchikey" : [ "DMBAVJVECSKEPF-UHFFFAOYSA-N" ], "mass" : [ "344.487" ], "monoisotopicmass" : [ "344.25627" ], "smiles" : [ "O(C(=O)CCCCCCC)CC(O)COC(=O)CCCCCCC" ] }, "label" : "1,3-dioctanoylglycerol", "ontology_name" : "slm", "ontology_prefix" : "SLM", "ontology_iri" : "https://swisslipids.org/rdf/SLM_", "is_obsolete" : false, "term_replaced_by" : null, "is_defining_ontology" : false, "has_children" : false, "is_root" : false, "short_form" : "CHEBI_136814", "obo_id" : "CHEBI:136814", "in_subset" : [ "3_STAR" ], "obo_definition_citation" : null, "obo_xref" : [ { "database" : "CAS", "id" : "1429-66-9", "description" : "ChemIDplus", "url" : null }, { "database" : "HMDB", "id" : "HMDB0092900", "description" : null, "url" : "http://www.hmdb.ca/metabolites/HMDB0092900" }, { "database" : "MetaCyc", "id" : "CPD0-1815", "description" : null, "url" : null }, { "database" : "PMID", "id" : "11607161", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/11607161" }, { "database" : "PMID", "id" : "1597192", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/1597192" }, { "database" : "PMID", "id" : "18781647", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/18781647" }, { "database" : "PMID", "id" : "2163772", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/2163772" }, { "database" : "PMID", "id" : "2743997", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/2743997" }, { "database" : "PMID", "id" : "3233220", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/3233220" }, { "database" : "PMID", "id" : "4026306", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/4026306" }, { "database" : "PMID", "id" : "7993666", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/7993666" }, { "database" : "PMID", "id" : "8077290", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/8077290" }, { "database" : "PMID", "id" : "8280103", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/8280103" }, { "database" : "PMID", "id" : "8387343", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/8387343" }, { "database" : "Reaxys", "id" : "1801556", "description" : "Reaxys", "url" : null } ], "obo_synonym" : [ { "name" : "2-hydroxypropane-1,3-diyl dioctanoate", "scope" : "hasExactSynonym", "type" : "IUPAC NAME", "xrefs" : [ { "database" : null, "id" : "IUPAC", "description" : null, "url" : null } ] }, { "name" : "1,3-Dicapryloylglycerol", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "1,3-dicaprylin", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChEBI", "description" : null, "url" : null } ] }, { "name" : "DAG(8:0/0:0/8:0)", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "HMDB", "description" : null, "url" : null } ] }, { "name" : "DG(8:0/0:0/8:0)", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "HMDB", "description" : null, "url" : null } ] }, { "name" : "diacylglycerol (8:0/0:0/8:0)", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "HMDB", "description" : null, "url" : null } ] } ], "is_preferred_root" : false, "_links" : { "self" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_136814?lang=en" }, "parents" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_136814/parents" }, "ancestors" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_136814/ancestors" }, "hierarchicalParents" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_136814/hierarchicalParents" }, "hierarchicalAncestors" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_136814/hierarchicalAncestors" }, "jstree" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_136814/jstree" }, "graph" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_136814/graph" }, "has_role" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_136814/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FRO_0000087" }, "has_functional_parent" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_136814/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252Fchebi%2523has_functional_parent" } } }