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Summary Geometry Related PDB entries

TIA

Summary

Name:	2-(1,5-DIDEOXYRIBOSE)-4-AMIDO-THIAZOLE
Formula:	C9 H12 N2 O4 S
Formal charge:	0
Formula weight:	244.268 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(1R)-1,4-anhydro-1-(4-carbamoyl-1,3-thiazol-2-yl)-5-deoxy-D-ribitol
OpenEye OEToolkits	1.7.6	2-[(2R,3R,4S,5R)-5-methyl-3,4-bis(oxidanyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1nc(sc1)C2OC(C(O)C2O)C)N
InChI	InChI	1.03	InChI=1S/C9H12N2O4S/c1-3-5(12)6(13)7(15-3)9-11-4(2-16-9)8(10)14/h2-3,5-7,12-13H,1H3,(H2,10,14)/t3-,5-,6-,7-/m1/s1
InChIKey	InChI	1.03	FQKJMVYTLPKRQR-SHUUEZRQSA-N
SMILES_CANONICAL	CACTVS	3.370	C[C@H]1O[C@H]([C@H](O)[C@@H]1O)c2scc(n2)C(N)=O
SMILES	CACTVS	3.370	C[CH]1O[CH]([CH](O)[CH]1O)c2scc(n2)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	C[C@@H]1[C@H]([C@H]([C@@H](O1)c2nc(cs2)C(=O)N)O)O
SMILES	OpenEye OEToolkits	1.7.6	CC1C(C(C(O1)c2nc(cs2)C(=O)N)O)O

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