Chemical Components in the PDB

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P6F : Summary

Code

P6F

One-letter code

X

Molecule name

1,6-di-O-phosphono-D-fructose

Systematic names

ProgramVersionName
ACDLabs 10.04 1,6-di-O-phosphono-D-fructose
OpenEye OEToolkits 1.5.0 [(3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-phosphonooxy-hexyl] dihydrogen phosphate

Formula

C6 H14 O12 P2

Formal charge

0

Molecular weight

340.116 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC(=O)C(O)C(O)C(O)COP(=O)(O)O
SMILES CACTVS 3.341 O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(=O)CO[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)C(=O)CO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1

IUPAC InChI key

XPYBSIWDXQFNMH-UYFOZJQFSA-N
P6F

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-03-02

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned