Chemical Components in the PDB

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FBP : Summary

Code

FBP

One-letter code

X

Molecule name

BETA-FRUCTOSE-1,6-DIPHOSPHATE

Synonyms

FRUCTOSE-1,6-BISPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 1,6-di-O-phosphono-beta-D-fructofuranose
OpenEye OEToolkits 1.5.0 [(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl 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)OCC1OC(O)(COP(=O)(O)O)C(O)C1O
SMILES CACTVS 3.341 O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=O)O[C@@H]1CO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O

IUPAC InChI

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

IUPAC InChI key

RNBGYGVWRKECFJ-ARQDHWQXSA-N
FBP

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Saccharide

Type description

SACCHARIDE

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned