{"id":"http://purl.obolibrary.org/obo/CHEBI_474180","prefLabel":"caspofungin","synonym":["(4R,5S)-5-((2-aminoethyl)amino)-N(2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide","1-[(4R,5S)-5-[(2-aminoethyl)amino]-N(2)-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-pneumocandin B0","N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-21-[(2-aminoethyl)amino]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-18-yl]-10,12-dimethyltetradecanamide","C52H88N10O15","Caspofungin","N-{(2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-12-[(2-aminoethyl)amino]-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide","caspofungin"],"prefixIRI":"obo2:CHEBI_474180","label":["caspofungin"],"subClassOf":["http://purl.obolibrary.org/obo/dinto_000055"],"parents":[{"id":"http://purl.obolibrary.org/obo/dinto_000055","prefLabel":"pharmacological entity","prefixIRI":"obo2:dinto_000055","label":["pharmacological entity"],"definition":["This class imports chemical entities from the ChEBI ontology that have a relationship 'has role' with the class 'drug' in this ontology and other chemical entities included in the pharmacological database DrugBank (but not in ChEBI).\nTherefore all subclasses of the class 'pharmacological entity' share they capacity to produce some pharmacological activity within a biological system."],"subClassOf":["http://purl.obolibrary.org/obo/CHEBI_24431"],"prefLabelXl":[],"altLabelXl":[],"hiddenLabelXl":[],"synonym":[],"obsolete":false,"notation":null,"semanticType":[],"cui":[],"xref":null,"inScheme":[],"created":null,"modified":null,"@id":"http://purl.obolibrary.org/obo/dinto_000055","@type":"http://www.w3.org/2002/07/owl#Class","links":{"self":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2Fdinto_000055","ontology":"https://data.bioontology.org/ontologies/DINTO","children":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2Fdinto_000055/children","parents":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2Fdinto_000055/parents","descendants":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2Fdinto_000055/descendants","ancestors":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2Fdinto_000055/ancestors","instances":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2Fdinto_000055/instances","tree":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2Fdinto_000055/tree","notes":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2Fdinto_000055/notes","mappings":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2Fdinto_000055/mappings","ui":"http://bioportal.bioontology.org/ontologies/DINTO?p=classes&conceptid=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2Fdinto_000055","@context":{"self":"http://www.w3.org/2002/07/owl#Class","ontology":"http://data.bioontology.org/metadata/Ontology","children":"http://www.w3.org/2002/07/owl#Class","parents":"http://www.w3.org/2002/07/owl#Class","descendants":"http://www.w3.org/2002/07/owl#Class","ancestors":"http://www.w3.org/2002/07/owl#Class","instances":"http://data.bioontology.org/metadata/Instance","tree":"http://www.w3.org/2002/07/owl#Class","notes":"http://data.bioontology.org/metadata/Note","mappings":"http://data.bioontology.org/metadata/Mapping","ui":"http://www.w3.org/2002/07/owl#Class"}},"@context":{"@vocab":"http://data.bioontology.org/metadata/","label":"http://www.w3.org/2000/01/rdf-schema#label","prefLabel":"http://www.w3.org/2004/02/skos/core#prefLabel","prefLabelXl":"http://www.w3.org/2008/05/skos-xl#prefLabel","altLabelXl":"http://www.w3.org/2008/05/skos-xl#altLabel","hiddenLabelXl":"http://www.w3.org/2008/05/skos-xl#hiddenLabel","synonym":"http://www.w3.org/2004/02/skos/core#altLabel","definition":"http://www.w3.org/2004/02/skos/core#definition","obsolete":"http://www.w3.org/2002/07/owl#deprecated","notation":"http://www.w3.org/2004/02/skos/core#notation","prefixIRI":"http://data.bioontology.org/metadata/prefixIRI","subClassOf":"http://www.w3.org/2000/01/rdf-schema#subClassOf","semanticType":"http://bioportal.bioontology.org/ontologies/umls/hasSTY","cui":"http://bioportal.bioontology.org/ontologies/umls/cui","xref":"http://www.geneontology.org/formats/oboInOwl#hasDbXref","inScheme":"http://www.w3.org/2004/02/skos/core#inScheme","created":"http://purl.org/dc/terms/created","modified":"http://purl.org/dc/terms/modified","@language":[]}}],"definition":[],"obsolete":false,"notation":null,"semanticType":[],"cui":[],"xref":null,"inScheme":[],"created":null,"modified":null,"memberOf":[],"altLabelXl":[],"hiddenLabelXl":[],"prefLabelXl":[],"isInActiveScheme":[null],"isInActiveCollection":[],"properties":{"http://purl.obolibrary.org/obo#DBSynonym":["capsofungin"],"http://purl.obolibrary.org/obo#ATCCode":["J02AX04"],"https://data.bioontology.org/metadata/def/prefLabel":["caspofungin"],"http://purl.obolibrary.org#Definition":["A semisynthetic cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall."],"http://purl.obolibrary.org/obo#altId":["CHEBI:599509"],"http://purl.obolibrary.org/obo/dinto_000159":["http://purl.obolibrary.org/obo/OAE_0000388","http://purl.obolibrary.org/obo/OAE_0001059","http://purl.obolibrary.org/obo/OAE_0000377","http://purl.obolibrary.org/obo/OAE_0001449","http://purl.obolibrary.org/obo/OAE_0000373","http://purl.obolibrary.org/obo/OAE_0000319","http://purl.obolibrary.org/obo/OAE_0000021","http://purl.obolibrary.org/obo/OAE_0000382","http://purl.obolibrary.org/obo/OAE_0001025","http://purl.obolibrary.org/obo/OAE_0000600","http://purl.obolibrary.org/obo/OAE_0000310","http://purl.obolibrary.org/obo/OAE_0000920","http://purl.obolibrary.org/obo/OAE_0000403","http://purl.obolibrary.org/obo/OAE_0001254","http://purl.obolibrary.org/obo/OAE_0000770","http://purl.obolibrary.org/obo/OAE_0000601","http://purl.obolibrary.org/obo/OAE_0001463","http://purl.obolibrary.org/obo/OAE_0000375","http://purl.obolibrary.org/obo/OAE_0000551","http://purl.obolibrary.org/obo/OAE_0000645","http://purl.obolibrary.org/obo/OAE_0002206","http://purl.obolibrary.org/obo/OAE_0000414","http://purl.obolibrary.org/obo/OAE_0000355","http://purl.obolibrary.org/obo/OAE_0000968","http://purl.obolibrary.org/obo/OAE_0000034","http://purl.obolibrary.org/obo/OAE_0000166","http://purl.obolibrary.org/obo/OAE_0000401","http://purl.obolibrary.org/obo/OAE_0000194","http://purl.obolibrary.org/obo/OAE_0001205","http://purl.obolibrary.org/obo/OAE_0000468","http://purl.obolibrary.org/obo/OAE_0001443","http://purl.obolibrary.org/obo/OAE_0001217","http://purl.obolibrary.org/obo/OAE_0000396","http://purl.obolibrary.org/obo/OAE_0000390","http://purl.obolibrary.org/obo/OAE_0000347","http://purl.obolibrary.org/obo/OAE_0000362","http://purl.obolibrary.org/obo/OAE_0000565","http://purl.obolibrary.org/obo/OAE_0001345","http://purl.obolibrary.org/obo/OAE_0000374","http://purl.obolibrary.org/obo/OAE_0000394","http://purl.obolibrary.org/obo/OAE_0000260","http://purl.obolibrary.org/obo/OAE_0001044","http://purl.obolibrary.org/obo/OAE_0000402"],"http://purl.obolibrary.org/obo#DBSalt":["caspofungin acetate"],"http://purl.obolibrary.org/obo/dinto_000303":["http://purl.obolibrary.org/obo/dinto_3075"],"http://purl.obolibrary.org/obo/dinto_000404":["http://purl.obolibrary.org/obo/dinto_1970","http://purl.obolibrary.org/obo/dinto_3075","http://purl.obolibrary.org/obo/dinto_2019","http://purl.obolibrary.org/obo/dinto_0901","http://purl.obolibrary.org/obo/dinto_1440","http://purl.obolibrary.org/obo/dinto_0520"],"http://www.w3.org/1999/02/22-rdf-syntax-ns#type":["http://www.w3.org/2002/07/owl#Class"],"http://purl.obolibrary.org/obo/dinto_000154":["http://purl.obolibrary.org/obo/CHEBI_35441","http://purl.obolibrary.org/obo/CHEBI_35718"],"http://purl.obolibrary.org/obo#InChIKey":["InChIKey=JYIKNQVWKBUSNH-OGZDCFRISA-N"],"http://purl.obolibrary.org/obo#AHFScode":["08:14.16"],"http://purl.obolibrary.org/obo#Synonym":["(4R,5S)-5-((2-aminoethyl)amino)-N(2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide","1-[(4R,5S)-5-[(2-aminoethyl)amino]-N(2)-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-pneumocandin B0","N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-21-[(2-aminoethyl)amino]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-18-yl]-10,12-dimethyltetradecanamide","C52H88N10O15","Caspofungin","N-{(2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-12-[(2-aminoethyl)amino]-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide","caspofungin"],"http://purl.obolibrary.org/obo#xref":["Patent:US5378804","CASRN:162808-62-0","Drugs.com:http://www.drugs.com/cdi/caspofungin.html","Beilstein:8471798","PubChem Substance:46508288","ChEBI:474180","RxList:http://www.rxlist.com/cgi/generic/caspofungin.htm","KEGG DRUG:D07626","PubChem Compound:2826718","Drugs Product Database (DPD):2244266","Patent:WO9421677","Wikipedia:http://en.wikipedia.org/wiki/Caspofungin","National Drug Code Directory:0006-3822-10","PharmGKB:PA164743013","DrugBank:DB00520","ChemSpider:411774"],"http://purl.obolibrary.org/obo#CASRN":["179463-17-3"],"https://data.bioontology.org/metadata/prefixIRI":["obo2:CHEBI_474180"],"http://purl.obolibrary.org/obo/dinto_000426":["http://purl.obolibrary.org/obo/dinto_1824"],"http://purl.obolibrary.org/obo#SMILES":["CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@H](O)CCN","[H][C@@]1(C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@]2([H])C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN)NC(=O)CCCCCCCCC(C)CC(C)CC"],"http://purl.obolibrary.org/obo/dinto_000499":["http://purl.obolibrary.org/obo/CHEBI_4031","http://purl.obolibrary.org/obo/CHEBI_61049","http://purl.obolibrary.org/obo/CHEBI_28077"],"http://www.w3.org/2000/01/rdf-schema#label":["caspofungin"],"http://purl.obolibrary.org/obo#DBname":["caspofungin"],"http://purl.obolibrary.org/obo#InChI":["InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1"],"http://purl.obolibrary.org/obo#DBBrand":["cancidas"],"http://www.w3.org/2000/01/rdf-schema#subClassOf":["http://purl.obolibrary.org/obo/dinto_000055"]},"@id":"http://purl.obolibrary.org/obo/CHEBI_474180","@type":"http://www.w3.org/2002/07/owl#Class","links":{"self":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FCHEBI_474180","ontology":"https://data.bioontology.org/ontologies/DINTO","children":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FCHEBI_474180/children","parents":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FCHEBI_474180/parents","descendants":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FCHEBI_474180/descendants","ancestors":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FCHEBI_474180/ancestors","instances":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FCHEBI_474180/instances","tree":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FCHEBI_474180/tree","notes":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FCHEBI_474180/notes","mappings":"https://data.bioontology.org/ontologies/DINTO/classes/http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FCHEBI_474180/mappings","ui":"http://bioportal.bioontology.org/ontologies/DINTO?p=classes&conceptid=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FCHEBI_474180","@context":{"self":"http://www.w3.org/2002/07/owl#Class","ontology":"http://data.bioontology.org/metadata/Ontology","children":"http://www.w3.org/2002/07/owl#Class","parents":"http://www.w3.org/2002/07/owl#Class","descendants":"http://www.w3.org/2002/07/owl#Class","ancestors":"http://www.w3.org/2002/07/owl#Class","instances":"http://data.bioontology.org/metadata/Instance","tree":"http://www.w3.org/2002/07/owl#Class","notes":"http://data.bioontology.org/metadata/Note","mappings":"http://data.bioontology.org/metadata/Mapping","ui":"http://www.w3.org/2002/07/owl#Class"}},"@context":{"@vocab":"http://data.bioontology.org/metadata/","label":"http://www.w3.org/2000/01/rdf-schema#label","prefLabel":"http://www.w3.org/2004/02/skos/core#prefLabel","prefLabelXl":"http://www.w3.org/2008/05/skos-xl#prefLabel","altLabelXl":"http://www.w3.org/2008/05/skos-xl#altLabel","hiddenLabelXl":"http://www.w3.org/2008/05/skos-xl#hiddenLabel","synonym":"http://www.w3.org/2004/02/skos/core#altLabel","definition":"http://www.w3.org/2004/02/skos/core#definition","obsolete":"http://www.w3.org/2002/07/owl#deprecated","notation":"http://www.w3.org/2004/02/skos/core#notation","prefixIRI":"http://data.bioontology.org/metadata/prefixIRI","parents":"http://www.w3.org/2000/01/rdf-schema##<Proc:0x00007fbd5ffec6e8 /opt/ontoportal/ontologies_api/shared/bundle/ruby/3.2.0/bundler/gems/ontologies_linked_data-0083660248b7/lib/ontologies_linked_data/models/class.rb:67 (lambda)>","subClassOf":"http://www.w3.org/2000/01/rdf-schema#subClassOf","semanticType":"http://bioportal.bioontology.org/ontologies/umls/hasSTY","cui":"http://bioportal.bioontology.org/ontologies/umls/cui","xref":"http://www.geneontology.org/formats/oboInOwl#hasDbXref","inScheme":"http://www.w3.org/2004/02/skos/core#inScheme","created":"http://purl.org/dc/terms/created","modified":"http://purl.org/dc/terms/modified","@language":[]}}