Chemical Components in the PDB

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AFP : Summary

Code

AFP

One-letter code

X

Molecule name

1,6-di-O-phosphono-alpha-D-fructofuranose

Synonyms

ALPHA FRUCTOSE 1,6-DIPHOSPHATE
1,6-di-O-phosphono-alpha-D-fructose
1,6-di-O-phosphono-D-fructose
1,6-di-O-phosphono-fructose

Systematic names

ProgramVersionName
ACDLabs 10.04 1,6-di-O-phosphono-alpha-D-fructofuranose
OpenEye OEToolkits 1.5.0 [(2S,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-ZXXMMSQZSA-N
AFP

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

Yes

Standard parent

Z9N

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned