Chemical Components in the PDB

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RAH : Summary

Code

RAH

One-letter code

X

Molecule name

[(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid

Synonyms

6-deoxy-6-sulfo-D-fructose 1-phosphate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid

Formula

C6 H13 O11 P S

Formal charge

0

Molecular weight

324.2 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1C[S](O)(=O)=O
SMILES OpenEye OEToolkits 2.0.7 C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)S(=O)(=O)O
Canonical SMILES CACTVS 3.385 O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=O)O[C@@H]1C[S](O)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)S(=O)(=O)O

IUPAC InChI

InChI=1S/C6H13O11PS/c7-4-3(1-19(13,14)15)17-6(9,5(4)8)2-16-18(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H,13,14,15)/t3-,4-,5+,6-/m1/s1

IUPAC InChI key

IZVMCURFIBVEOJ-ARQDHWQXSA-N
RAH

wwPDB Information

Atom count

32 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-22

Last modified at

2021-04-09

Status

Released

Obsoleted

Not Assigned