NMX
NITROMETHYLDETHIA COENZYME A
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as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
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Name | NITROMETHYLDETHIA COENZYME A |
Identifiers | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl [hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-(3-nitropropylamino)-3-oxo-propyl]amino]-4-oxo-butoxy]phosphoryl] hydrogen phosphate |
Formula | C22 H37 N8 O18 P3 |
Molecular Weight | 794.493 |
Type | NON-POLYMER |
Isomeric SMILES | CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCC[N+](=O)[O-])O |
InChI | InChI=1S/C22H37N8O18P3/c1-22(2,17(33)20(34)25-6-4-13(31)24-5-3-7-30(35)36)9-45-51(42,43)48-50(40,41)44-8-12-16(47-49(37,38)39)15(32)21(46-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,32-33H,3-9H2,1-2H3,(H,24,31)(H,25,34)(H,40,41)(H,42,43)(H2,23,26,27)(H2,37,38,39)/t12-,15-,16-,17+,21-/m1/s1 |
InChIKey | PUGKTLRHGHIDCJ-GORZOVPNSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 88 |
Chiral Atom Count | 7 |
Bond Count | 90 |
Aromatic Bond Count | 10 |
Drug Info: DrugBank
DrugBank ID | DB04230 |
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Name | Nitromethyldethia coenzyme A |
Groups | experimental |
Synonyms | Nitromethyldethia coenzyme A |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
---|---|---|---|
Citrate synthase, mitochondrial | MALLTAAARLLGTKNASCLVLAARHASASSTNLKDILADLIPKEQARIKT... | 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
Related Resource References
Resource Name | Reference |
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PubChem | 5289039 |