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ID	http://purl.obolibrary.org/obo/CHEBI_64153 http://purl.obolibrary.org/obo/CHEBI_64153 https://agroportal.lirmm.fr/ontologies/EFO/CHEBI_64153 Loading
Preferred name	tanespimycin
Synonyms	(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-en-1-ylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate 17-(Allylamino)-17-demethoxygeldanamycin 17-(Allylamino)geldanamycin 17-AAG 17-Demethoxy-17-allylamino geldanamycin 17-N-allylamino-17-demethoxygeldanamycin 17-allylaminogeldanamycin 17-demethoxy-17-(2-propenylamino)geldanamycin 17AAG NSC 330507 NSC-330507 tanespimycin tanespimycina tanespimycine tanespimycinum See more See less
Definitions	A 19-membered macrocyle that is geldanamycin in which the methoxy substituent attached to the benzoquinone moiety has been replaced by an allylamino group. It is a potent inhibitor of heat shock protein 90 (Hsp90). A less toxic analogue than geldanamycin, it induces apoptosis and displays antitumour effects.

rdf:type	http://www.w3.org/2002/07/owl#Class Loading
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_24532 Loading http://purl.obolibrary.org/obo/CHEBI_37622 Loading
rdfs:label	tanespimycin
skos:notation	CHEBI:64153
obo_purl:IAO_0000115	A 19-membered macrocyle that is geldanamycin in which the methoxy substituent attached to the benzoquinone moiety has been replaced by an allylamino group. It is a potent inhibitor of heat shock protein 90 (Hsp90). A less toxic analogue than geldanamycin, it induces apoptosis and displays antitumour effects.
oboinowl_gen:hasExactSynonym	(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-en-1-ylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
oboinowl_gen:hasDbXref	CAS:75747-14-7 ChEMBL:283934 ChemIDplus:75747-14-7 CiteXplore:20652703 CiteXplore:20683637 CiteXplore:21219297 CiteXplore:21283735 CiteXplore:21454186 CiteXplore:21534941 CiteXplore:21558407 CiteXplore:21594721 CiteXplore:21670086 CiteXplore:21791475 CiteXplore:21856392 CiteXplore:22047770 CiteXplore:22209975 CiteXplore:22377218 KEGG:D06650 NCIt:C37899 PMID:20646760 PMID:20652703 PMID:20683637 PMID:21219297 PMID:21283735 PMID:21454186 PMID:21534941 PMID:21558407 PMID:21594721 PMID:21670086 PMID:21791475 PMID:21856392 PMID:22047770 PMID:22209975 PMID:22377218 PMID:22621282 PMID:23564374 PMID:24317439 PMID:25096912 PMID:25633180 PMID:25952464 PMID:26277605 PMID:26408708 PMID:26872308 PMID:26913406 PMID:26922527 PMID:27045471 Reaxys:7402240 Wikipedia:17-N-Allylamino-17-demethoxygeldanamycin MESH:C112765 See more See less
oboinowl_gen:hasOBONamespace	chebi_ontology
oboinowl_gen:id	CHEBI:64153
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR Loading
has_role	http://purl.obolibrary.org/obo/CHEBI_35610 Loading
oboinowl_gen:hasRelatedSynonym	17-(Allylamino)-17-demethoxygeldanamycin 17-(Allylamino)geldanamycin 17-AAG 17-Demethoxy-17-allylamino geldanamycin 17-N-allylamino-17-demethoxygeldanamycin 17-allylaminogeldanamycin 17-demethoxy-17-(2-propenylamino)geldanamycin 17AAG NSC 330507 NSC-330507 tanespimycin tanespimycina tanespimycine tanespimycinum See more See less
obo_purl:charge	0
obo_purl:formula	C31H43N3O8
obo_purl:inchi	InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
obo_purl:inchikey	AYUNIORJHRXIBJ-TXHRRWQRSA-N
obo_purl:mass	585.690
obo_purl:monoisotopicmass	585.30502
obo_purl:smiles	C=1C(C(=C2C(C1NC(=O)C(C)=CC=C[C@@H]([C@@H](OC(N)=O)C(C)=C[C@@H]([C@H]([C@H](C[C@@H](C2)C)OC)O)C)OC)=O)NCC=C)=O

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