Chemical Components in the PDB

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5SP : Summary

Code

5SP

One-letter code

X

Molecule name

5-O-phosphono-D-xylulose

Systematic names

ProgramVersionName
ACDLabs 12.01 5-O-phosphono-D-xylulose
OpenEye OEToolkits 1.7.0 [(2R,3S)-2,3,5-trihydroxy-4-oxo-pentyl] dihydrogen phosphate

Formula

C5 H11 O8 P

Formal charge

0

Molecular weight

230.11 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(OCC(O)C(O)C(=O)CO)(O)O
SMILES CACTVS 3.370 OCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(C(C(C(=O)CO)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.370 OCC(=O)[C@@H](O)[C@H](O)CO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1

IUPAC InChI key

FNZLKVNUWIIPSJ-RFZPGFLSSA-N
5SP

wwPDB Information

Atom count

25 (14 without Hydrogen)

Polymer type

Saccharide

Type description

saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2010-03-12

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned