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Summary Geometry Related PDB entries

FM2

Summary

Name:	2-(7-AMINO-6-METHYL-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
Synonyms:	6-METHYL-FORMYCIN A
Formula:	C11 H16 N5 O4
Formal charge:	1
Formula weight:	282.276 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	(1S)-1-(7-amino-6-methyl-1H-pyrazolo[4,3-d]pyrimidin-6-ium-3-yl)-1,4-anhydro-D-ribitol
OpenEye OEToolkits	1.5.0	(2S,3R,4S,5R)-2-(7-amino-6-methyl-1H-pyrazolo[4,5-d]pyrimidin-6-ium-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1C(OC(CO)C1O)c3nnc2c(N)[n+](cnc23)C
SMILES_CANONICAL	CACTVS	3.341	C[n+]1cnc2c([nH]nc2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c1N
SMILES	CACTVS	3.341	C[n+]1cnc2c([nH]nc2[CH]3O[CH](CO)[CH](O)[CH]3O)c1N
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	C[n+]1cnc2c(c1N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
SMILES	OpenEye OEToolkits	1.5.0	C[n+]1cnc2c(c1N)[nH]nc2C3C(C(C(O3)CO)O)O
InChI	InChI	1.03	InChI=1S/C11H15N5O4/c1-16-3-13-5-6(14-15-7(5)11(16)12)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H2,12,14,15)/p+1/t4-,8-,9-,10+/m1/s1
InChIKey	InChI	1.03	UHYKIYIKTWEXSX-LFAOKBQASA-O

223532

PDB entries from 2024-08-07

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