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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_5292
http://purl.obolibrary.org/obo/CHEBI_5292
|
|---|---|
| Preferred Name | geldanamycin |
| Synonyms |
Geldanamycin
C29H40N2O9
(8R,9R,12R,13R,14R,16S)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
GELDANAMYCIN
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | geldanamycin
|
|---|---|
| label | geldanamycin
|
| Definition | A 19-membered macrocyle incorporating a benzoquinone ring and a lactam functionality. it is an ansamycin antibiotic and thus shows antimicrobial activity against many gram-positive and some gram-negative bacteria.
|
| altId | CHEBI:42670
|
| type | |
| has role | |
| InChIKey |
InChIKey=QTQAWLPCGQOSGP-GBTDJJJQSA-N
InChIKey=QTQAWLPCGQOSGP-KSRBKZBZSA-N
|
| Synonym | Geldanamycin
C29H40N2O9
(8R,9R,12R,13R,14R,16S)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
GELDANAMYCIN
|
| xref |
CiteXplore:22050565
CASRN:30562-34-6
KEGG COMPOUND:C11222
PubChem Substance:46505674
CiteXplore:22361388
CiteXplore:22215907
PDBeChem:GDM
ChEMBL:125906
PubChem Compound:46936377
CiteXplore:22138446
CiteXplore:22277058
Wikipedia:Geldanamycin
CiteXplore:22136518
PharmGKB:PA152031327
CiteXplore:21985437
PDB:GDM
BindingDB:50227098
ChemSpider:3342
CiteXplore:21983172
Wikipedia:http://en.wikipedia.org/wiki/Geldanamycin
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|
| CASRN | 30562-34-6
|
| prefixIRI | obo2:CHEBI_5292
|
| related with | |
| SMILES | CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\\C(C)=C\\C=C/[C@H](OC)[C@@H](OC(N)=O)\\C(C)=C\\[C@H](C)[C@H]1O)C2=O
CO[C@@H]1C[C@@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C/C=C\[C@@H](OC)[C@H](OC(N)=O)\C(C)=C/[C@@H](C)[C@H]1O)C2=O
|
| InChI | InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1
InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9-,18-13-/t15-,17+,22+,23+,24+,26+/m0/s1
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| subClassOf |
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