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A1H1V : Summary

Code

A1H1V

One-letter code

X

Molecule name

3-O-sulfo-alpha-L-idopyranuronic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R},3~{R},4~{S},5~{R},6~{R})-3,5,6-tris(oxidanyl)-4-sulfooxy-oxane-2-carboxylic acid

Formula

C6 H10 O10 S

Formal charge

0

Molecular weight

274.203 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[CH]1O[CH]([CH](O)[CH](O[S](O)(=O)=O)[CH]1O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C1(C(C(C(OC1C(=O)O)O)O)OS(=O)(=O)O)O
Canonical SMILES CACTVS 3.385 O[C@@H]1O[C@H]([C@@H](O)[C@H](O[S](O)(=O)=O)[C@H]1O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 [C@@H]1([C@@H]([C@H]([C@@H](O[C@H]1C(=O)O)O)O)OS(=O)(=O)O)O

IUPAC InChI

InChI=1S/C6H10O10S/c7-1-3(16-17(12,13)14)2(8)6(11)15-4(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3-,4+,6+/m0/s1

IUPAC InChI key

DUBHWJMYQMPMAY-ZGFJKJOTSA-N
A1H1V

wwPDB Information

Atom count

27 (17 without Hydrogen)

Polymer type

Saccharide

Type description

L-saccharide, alpha linking

Type code

ATOMS

Is modified

Yes

Standard parent

IDR

Defined at

2024-01-09

Last modified at

2024-07-12

Status

Released

Obsoleted

Not Assigned