Chemical Components in the PDB

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7GW : Summary

Code

7GW

One-letter code

X

Molecule name

(2~{R},3~{R},4~{S},5~{S})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{R},3~{R},4~{S},5~{S})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol

Formula

C6 H12 O6

Formal charge

0

Molecular weight

180.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC[CH]1O[CH](C(O)O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.6 C(C1C(C(C(O1)C(O)O)O)O)O
Canonical SMILES CACTVS 3.385 OC[C@@H]1O[C@@H](C(O)O)[C@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.6 C([C@H]1[C@H]([C@H]([C@@H](O1)C(O)O)O)O)O

IUPAC InChI

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(12-2)6(10)11/h2-11H,1H2/t2-,3+,4+,5+/m0/s1

IUPAC InChI key

IRLQCNDEPRBYOU-NRXMZTRTSA-N
7GW

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-10-24

Last modified at

2017-04-28

Status

Released

Obsoleted

Not Assigned