Chemical Components in the PDB

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ELE : Summary

Code

ELE

One-letter code

X

Molecule name

2-keto 3 deoxy 6 phospho gluconate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (4~{S},5~{R})-4,5-bis(oxidanyl)-2-oxidanylidene-6-phosphonooxy-hexanoic acid

Formula

C6 H11 O9 P

Formal charge

0

Molecular weight

258.12 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[CH](CO[P](O)(O)=O)[CH](O)CC(=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 C(C(C(COP(=O)(O)O)O)O)C(=O)C(=O)O
Canonical SMILES CACTVS 3.385 O[C@H](CO[P](O)(O)=O)[C@@H](O)CC(=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C([C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O

IUPAC InChI

InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1

IUPAC InChI key

OVPRPPOVAXRCED-WVZVXSGGSA-N
ELE

wwPDB Information

Atom count

27 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-03-26

Last modified at

2018-06-22

Status

Released

Obsoleted

Not Assigned