The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/dinto_DB03170 http://purl.obolibrary.org/obo/dinto_DB03170
Preferred Name	dephospho coenzyme a
Synonyms	C21H35N7O13P2S [({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphinic acid
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	dephospho coenzyme a
label	dephospho coenzyme a
type	http://www.w3.org/2002/07/owl#Class
InChIKey	InChIKey=KDTSHFARGAKYJN-OIODXMIOSA-N
Synonym	C21H35N7O13P2S [({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphinic acid
xref	PubChem Substance:46504599 PDB:COD PubChem Compound:46936592 ChEBI:15468
prefixIRI	obo2:dinto_DB03170
related with	http://purl.obolibrary.org/obo/dinto_3998
SMILES	CC(C)(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)[C@@H](O)C(=O)NCCC(=O)NCCS
InChI	InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15+,16-,20+/m0/s1
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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