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Summary Geometry Related PDB entries

A1L7V

Summary

Name:	[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1~{Z})-5-[methyl(oxidanyl)-$l^{3}-sulfanyl]-~{N}-oxidanyl-pentanimidothioate
Formula:	C12 H24 N O7 S2
Formal charge:	0
Formula weight:	358.451 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1~{Z})-5-[methyl(oxidanyl)-$l^{3}-sulfanyl]-~{N}-oxidanyl-pentanimidothioate

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C12H24NO7S2/c1-22(19)5-3-2-4-8(13-18)21-12-11(17)10(16)9(15)7(6-14)20-12/h7,9-12,14-19H,2-6H2,1H3/b13-8-/t7-,9-,10+,11-,12+/m1/s1
InChIKey	InChI	1.06	JVJFEIQKNHAMBL-AHMUMSBHSA-N
SMILES_CANONICAL	CACTVS	3.385	C[S@](O)CCCC\C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N\O
SMILES	CACTVS	3.385	C[S](O)CCCCC(S[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)=NO
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[S@@](CCCC/C(=N/O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
SMILES	OpenEye OEToolkits	2.0.7	C[S](CCCCC(=NO)SC1C(C(C(C(O1)CO)O)O)O)O

250359

PDB entries from 2026-03-11

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