Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

S6P : Summary

Code

S6P

One-letter code

X

Molecule name

D-SORBITOL-6-PHOSPHATE

Synonyms

1-O-PHOSPHONO-D-GLUCITOL
D-GLUCITOL-6-PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 6-O-phosphono-D-glucitol
OpenEye OEToolkits 1.5.0 [(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] dihydrogen phosphate

Formula

C6 H15 O9 P

Formal charge

0

Molecular weight

262.152 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1

IUPAC InChI key

GACTWZZMVMUKNG-SLPGGIOYSA-N
S6P

wwPDB Information

Atom count

31 (16 without Hydrogen)

Polymer type

Saccharide

Type description

D-SACCHARIDE

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2004-10-28

Last modified at

2020-05-27

Status

Released

Obsoleted

Not Assigned