GOM

GLUTAMOL-AMP

Created:	2002-11-26
Last modified:	2011-06-04

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1 entries where GOM is found as a standalone ligand

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Chemical Details
Formal Charge	-1
Atom Count	53
Chiral Atom Count	5
Bond Count	55
Aromatic Bond Count	10

2D diagram of GOM

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Chemical Component Summary
Name	GLUTAMOL-AMP
Systematic Name (OpenEye OEToolkits)	(4S)-5-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-4-azaniumyl-pentanoate
Formula	C₁₅ H₂₂ N₆ O₉ P
Molecular Weight	461.344
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-]C(=O)CCC([NH3+])COP([O-])(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P]([O-])(=O)OC[CH]([NH3+])CCC([O-])=O)[CH](O)[CH]3O
SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)([O-])OCC(CCC(=O)[O-])[NH3+])O)O)N
Canonical SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P]([O-])(=O)OC[C@@H]([NH3+])CCC([O-])=O)[C@@H](O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)([O-])OC[C@H](CCC(=O)[O-])[NH3+])O)O)N
InChI	InChI	1.03	InChI=1S/C15H23N6O9P/c16-7(1-2-9(22)23)3-28-31(26,27)29-4-8-11(24)12(25)15(30-8)21-6-20-10-13(17)18-5-19-14(10)21/h5-8,11-12,15,24-25H,1-4,16H2,(H,22,23)(H,26,27)(H2,17,18,19)/p-1/t7-,8+,11+,12+,15+/m0/s1
InChIKey	InChI	1.03	JDELUWYDJMPPMI-SBZSCLMQSA-M

Related Resource References

Resource Name	Reference
PubChem	49867047

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.