Chemical Components in the PDB

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FRU : Summary

Code

FRU

One-letter code

X

Molecule name

FRUCTOSE

Systematic names

ProgramVersionName
ACDLabs 10.04 beta-D-fructofuranose
OpenEye OEToolkits 1.5.0 (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol

Formula

C6 H12 O6

Formal charge

0

Molecular weight

180.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1C(O)C(OC1(O)CO)CO
SMILES CACTVS 3.341 OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(O1)(CO)O)O)O)O
Canonical SMILES CACTVS 3.341 OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O

IUPAC InChI

InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1

IUPAC InChI key

RFSUNEUAIZKAJO-ARQDHWQXSA-N
FRU

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Saccharide

Type description

D-SACCHARIDE

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2019-08-12

Status

Released

Obsoleted

Not Assigned