Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

F6R : Summary

Code

F6R

One-letter code

X

Molecule name

FRUCTOSE -6-PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 12.01 6-O-phosphono-D-fructose
OpenEye OEToolkits 1.7.6 [(2R,3R,4S)-2,3,4,6-tetrakis(oxidanyl)-5-oxidanylidene-hexyl] dihydrogen phosphate

Formula

C6 H13 O9 P

Formal charge

0

Molecular weight

260.136 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(C(C(C(C(COP(O)(O)=O)O)O)O)=O)O
SMILES CACTVS 3.385 OCC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(C(C(C(C(=O)CO)O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.385 OCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1

IUPAC InChI key

GSXOAOHZAIYLCY-HSUXUTPPSA-N
F6R

wwPDB Information

Atom count

29 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-02-21

Last modified at

2015-04-01

Status

Released

Obsoleted

Not Assigned