MZP

4-CARBAMOYL-1-BETA-D-RIBOFURANOSYL-IMIDAZOLIUM-5-OLATE-5'-PHOSPHATE

Created:	2002-10-29
Last modified:	2011-06-04

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1 entries where MZP is found as a standalone ligand

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Chemical Details
Formal Charge	-2
Atom Count	34
Chiral Atom Count	4
Bond Count	35
Aromatic Bond Count	5

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Chemical Component Summary
Name	4-CARBAMOYL-1-BETA-D-RIBOFURANOSYL-IMIDAZOLIUM-5-OLATE-5'-PHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-5-(4-aminocarbonyl-5-oxido-imidazol-3-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate
Formula	C₉ H₁₂ N₃ O₉ P
Molecular Weight	337.18
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-]P([O-])(=O)OCC2OC(n1c[nH+]c(C(=O)N)c1[O-])C(O)C2O
SMILES	CACTVS	3.341	NC(=O)c1[nH+]cn([CH]2O[CH](CO[P]([O-])([O-])=O)[CH](O)[CH]2O)c1[O-]
SMILES	OpenEye OEToolkits	1.5.0	c1[nH+]c(c(n1C2C(C(C(O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N
Canonical SMILES	CACTVS	3.341	NC(=O)c1[nH+]cn([C@@H]2O[C@H](CO[P]([O-])([O-])=O)[C@@H](O)[C@H]2O)c1[O-]
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1[nH+]c(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N
InChI	InChI	1.03	InChI=1S/C9H14N3O9P/c10-7(15)4-8(16)12(2-11-4)9-6(14)5(13)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,13-14,16H,1H2,(H2,10,15)(H2,17,18,19)/p-2/t3-,5-,6-,9-/m1/s1
InChIKey	InChI	1.03	KTKAFSMJDTUUAN-UUOKFMHZSA-L

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB01945
Name	4-Carbamoyl-1-Beta-D-Ribofuranosyl-Imidazolium-5-Olate-5'-Phosphate
Groups	experimental
Synonyms	4-Carbamoyl-1-Beta-D-Ribofuranosyl-Imidazolium-5-Olate-5'-Phosphate