OAD

2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE

Created:	2002-06-28
Last modified:	2012-01-05

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6 entries where OAD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	64
Chiral Atom Count	10
Bond Count	67
Aromatic Bond Count	10

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Chemical Component Summary
Name	2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE
Systematic Name (OpenEye OEToolkits)	[(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-2,4-dihydroxy-oxolan-3-yl] ethanoate
Formula	C₁₇ H₂₅ N₅ O₁₅ P₂
Molecular Weight	601.352
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC1C(O)C(OC1O)COP(=O)(O)OP(=O)(O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)C
SMILES	CACTVS	3.385	CC(=O)O[CH]1[CH](O)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O
SMILES	OpenEye OEToolkits	1.7.5	CC(=O)OC1C(C(OC1O)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O
Canonical SMILES	CACTVS	3.385	CC(=O)O[C@H]1[C@@H](O)O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.5	CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O
InChI	InChI	1.03	InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1
InChIKey	InChI	1.03	BFNOPXRXIQJDHO-DLFWLGJNSA-N

Drug Info: DrugBank

DrugBank ID	DB03478
Name	2'-O-Acetyl Adenosine-5-Diphosphoribose
Groups	experimental
Synonyms	2'-O-Acetyl Adenosine-5-Diphosphoribose

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
NAD-dependent protein deacylase sirtuin-5, mitochondrial	MRPLQIVPSRLISQLYCGLKPPASTRNQICLKMARPSSSMADFRKFFAKA...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682