Chemical Components in the PDB

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1KH : Summary

Code

1KH

One-letter code

X

Molecule name

arsenoribose

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 [(2S,3R,4R)-2,3,4,5,5-pentakis(oxidanyl)pentyl]arsonic acid

Formula

C5 H13 As O8

Formal charge

0

Molecular weight

276.074 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.370 OC(O)[CH](O)[CH](O)[CH](O)C[As](O)(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(C(C(C(C(O)O)O)O)O)[As](=O)(O)O
Canonical SMILES CACTVS 3.370 OC(O)[C@H](O)[C@@H](O)[C@H](O)C[As](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@H]([C@@H]([C@H](C(O)O)O)O)O)[As](=O)(O)O

IUPAC InChI

InChI=1S/C5H13AsO8/c7-2(1-6(12,13)14)3(8)4(9)5(10)11/h2-5,7-11H,1H2,(H2,12,13,14)/t2-,3+,4-/m1/s1

IUPAC InChI key

MSQKZAOQSOMILW-FLRLBIABSA-N
1KH

wwPDB Information

Atom count

27 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-03-05

Last modified at

2013-09-13

Status

Released

Obsoleted

Not Assigned