The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/dinto_DB01763 http://purl.obolibrary.org/obo/dinto_DB01763
Preferred Name	tatp
Synonyms	1-[(2R,3R,4R,5S)-5-({[(S)-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamothioyl-1$l^{5}-pyridin-1-ylium C21H28N7O16P3S
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	tatp
label	tatp
type	http://www.w3.org/2002/07/owl#Class
InChIKey	InChIKey=OJNFDOAQUXJWED-XCSFTKGKSA-N
Synonym	1-[(2R,3R,4R,5S)-5-({[(S)-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamothioyl-1$l^{5}-pyridin-1-ylium C21H28N7O16P3S
xref	ChemSpider:2615837 PDB:TAP PubChem Compound:46936208 PubChem Substance:46506464
CASRN	17088-37-8
prefixIRI	obo2:dinto_DB01763
related with	http://purl.obolibrary.org/obo/dinto_0935
SMILES	NC(=S)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=NC3=C2N=CN=C3N)[C@H](O)[C@H]1O
InChI	InChI=1S/C21H28N7O16P3S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-45(32,33)34)14(30)11(42-21)6-40-47(37,38)44-46(35,36)39-5-10-13(29)15(31)20(41-10)27-3-1-2-9(4-27)18(23)48/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,48)/t10-,11-,13-,14-,15+,16+,20+,21+/m0/s1
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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