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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB03962
http://purl.obolibrary.org/obo/dinto_DB03962
|
|---|---|
| Preferred Name | nicotinamide 8-bromo-adenine dinucleotide phosphate |
| Synonyms |
C21H27BrN7O17P3
1-[(2R,3R,4R,5S)-5-({[(S)-({[(2S,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1$l^{5}-pyridin-1-ylium
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | nicotinamide 8-bromo-adenine dinucleotide phosphate
|
|---|---|
| label | nicotinamide 8-bromo-adenine dinucleotide phosphate
|
| type | |
| InChIKey | InChIKey=MDKMTCCUJSRQGW-ZDYBBARQSA-N
|
| Synonym | C21H27BrN7O17P3
1-[(2R,3R,4R,5S)-5-({[(S)-({[(2S,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1$l^{5}-pyridin-1-ylium
|
| xref |
PubChem Compound:46936845
PDB:NBP
PubChem Substance:46506551
|
| prefixIRI | obo2:dinto_DB03962
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| related with | |
| SMILES | NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@@H](CO[P@]([O-])(=O)O[P@@](O)(=O)OC[C@@H]2O[C@H]([C@H](OP(O)(O)=O)[C@H]2O)N2C(Br)=NC3=C2N=CN=C3N)[C@H](O)[C@H]1O
|
| InChI | InChI=1S/C21H27BrN7O17P3/c22-21-27-11-16(23)25-7-26-18(11)29(21)20-15(45-47(34,35)36)13(31)10(44-20)6-42-49(39,40)46-48(37,38)41-5-9-12(30)14(32)19(43-9)28-3-1-2-8(4-28)17(24)33/h1-4,7,9-10,12-15,19-20,30-32H,5-6H2,(H7-,23,24,25,26,33,34,35,36,37,38,39,40)/t9-,10-,12-,13-,14+,15+,19+,20+/m0/s1
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| subClassOf |
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| No notes to display |