The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/dinto_DB01829 http://purl.obolibrary.org/obo/dinto_DB01829
Preferred Name	desulfo-coenzyme a
Synonyms	{[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3S)-3-{[2-(ethylcarbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid C21H36N7O16P3
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	desulfo-coenzyme a
label	desulfo-coenzyme a
type	http://www.w3.org/2002/07/owl#Class
InChIKey	InChIKey=ILWZMFJBPIYQKW-KOESHRMJSA-N
Synonym	{[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3S)-3-{[2-(ethylcarbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid C21H36N7O16P3
xref	PubChem Substance:46504990 PDB:DCA ChemSpider:2895 PubChem Compound:46936231
CASRN	5863-40-1
prefixIRI	obo2:dinto_DB01829
related with	http://purl.obolibrary.org/obo/dinto_2924
SMILES	CCNC(=O)CCNC(=O)[C@@H](O)C(C)(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
InChI	InChI=1S/C21H36N7O16P3/c1-4-23-12(29)5-6-24-19(32)16(31)21(2,3)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31H,4-8H2,1-3H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14+,15-,16+,20+/m0/s1
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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