Chemical Components in the PDB

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FDP : Summary

Code

FDP

One-letter code

X

Molecule name

2,6-di-O-phosphono-beta-D-fructofuranose

Synonyms

FRUCTOSE-2,6-DIPHOSPHATE
2,6-di-O-phosphono-beta-D-fructose
2,6-di-O-phosphono-D-fructose
2,6-di-O-phosphono-fructose

Systematic names

ProgramVersionName
ACDLabs 10.04 2,6-di-O-phosphono-beta-D-fructofuranose
OpenEye OEToolkits 1.5.0 [(2S,3S,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(phosphonooxymethyl)oxolan-2-yl] dihydrogen phosphate

Formula

C6 H14 O12 P2

Formal charge

0

Molecular weight

340.116 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OC1(OC(C(O)C1O)COP(=O)(O)O)CO)(O)O
SMILES CACTVS 3.341 OC[C]1(O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O)O[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 OC[C@]1(O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O)O[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O

IUPAC InChI

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

IUPAC InChI key

YXWOAJXNVLXPMU-ZXXMMSQZSA-N
FDP

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, beta linking

Type code

ATOMS

Is modified

Yes

Standard parent

FRU

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned