The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/dinto_DB03482 http://purl.obolibrary.org/obo/dinto_DB03482
Preferred Name	8-demethyl-8-dimethylamino-flavin-adenine-dinucleotide
Synonyms	C28H36N10O15P2 [({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,4R)-5-[8-(dimethylamino)-7-methyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl]-2,3,4-trihydroxypentyl]oxy})phosphinic acid
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	8-demethyl-8-dimethylamino-flavin-adenine-dinucleotide
label	8-demethyl-8-dimethylamino-flavin-adenine-dinucleotide
type	http://www.w3.org/2002/07/owl#Class
InChIKey	InChIKey=UXOZEHHQWXVTPI-KEJZVSMNSA-N
Synonym	C28H36N10O15P2 [({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,4R)-5-[8-(dimethylamino)-7-methyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl]-2,3,4-trihydroxypentyl]oxy})phosphinic acid
xref	PDB:RFL PubChem Compound:46936695 PubChem Substance:46506647
prefixIRI	obo2:dinto_DB03482
related with	http://purl.obolibrary.org/obo/dinto_0852
SMILES	CN(C)C1=CC2=C(C=C1C)N=C1C(=O)NC(=O)N=C1N2C[C@@H](O)[C@@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N
InChI	InChI=1S/C28H36N10O15P2/c1-11-4-12-14(5-13(11)36(2)3)37(25-19(33-12)26(44)35-28(45)34-25)6-15(39)20(41)16(40)7-50-54(46,47)53-55(48,49)51-8-17-21(42)22(43)27(52-17)38-10-32-18-23(29)30-9-31-24(18)38/h4-5,9-10,15-17,20-22,27,39-43H,6-8H2,1-3H3,(H,46,47)(H,48,49)(H2,29,30,31)(H,35,44,45)/t15-,16-,17+,20-,21+,22-,27-/m1/s1
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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