The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/dinto_DB01969 http://purl.obolibrary.org/obo/dinto_DB01969
Preferred Name	trifluoroacetonyl coenzyme a
Synonyms	{[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3,3,3-trifluoro-2-oxopropyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid C24H37F3N7O17P3S
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	trifluoroacetonyl coenzyme a
label	trifluoroacetonyl coenzyme a
type	http://www.w3.org/2002/07/owl#Class
InChIKey	InChIKey=XDIQTPZOIIYCTR-DBXDFDKESA-N
Synonym	{[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3,3,3-trifluoro-2-oxopropyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid C24H37F3N7O17P3S
xref	ChemSpider:3817998 PubChem Substance:46506152 PDB:COF PubChem Compound:46936270
prefixIRI	obo2:dinto_DB01969
related with	http://purl.obolibrary.org/obo/dinto_1798
SMILES	CC(C)(CO[P@](O)(=O)O[P@@](O)(=O)OC[C@@H]1O[C@H]([C@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)C(F)(F)F
InChI	InChI=1S/C24H37F3N7O17P3S/c1-23(2,18(38)21(39)30-4-3-14(36)29-5-6-55-8-13(35)24(25,26)27)9-48-54(45,46)51-53(43,44)47-7-12-17(50-52(40,41)42)16(37)22(49-12)34-11-33-15-19(28)31-10-32-20(15)34/h10-12,16-18,22,37-38H,3-9H2,1-2H3,(H,29,36)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t12-,16+,17-,18-,22+/m0/s1
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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