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Summary

Name:	(4S,5S)-4-(6-amino-9H-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one
Formula:	C11 H10 F N5 O3
Formal charge:	0
Formula weight:	279.227 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4S,5S)-4-(6-amino-9H-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one
OpenEye OEToolkits	1.7.0	(4S,5S)-4-(6-aminopurin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC1=C(C(=O)C(O)C1n2c3ncnc(c3nc2)N)CO
SMILES_CANONICAL	CACTVS	3.370	Nc1ncnc2n(cnc12)[C@H]3[C@H](O)C(=O)C(=C3F)CO
SMILES	CACTVS	3.370	Nc1ncnc2n(cnc12)[CH]3[CH](O)C(=O)C(=C3F)CO
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)C(=C3F)CO)O)N
SMILES	OpenEye OEToolkits	1.7.0	c1nc(c2c(n1)n(cn2)C3C(C(=O)C(=C3F)CO)O)N
InChI	InChI	1.03	InChI=1S/C11H10FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-3,7,9,18,20H,1H2,(H2,13,14,15)/t7-,9+/m1/s1
InChIKey	InChI	1.03	DMGPQGOOCCLGOU-APPZFPTMSA-N

223532

PDB entries from 2024-08-07

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