Chemical Components in the PDB

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CKP : Summary

Code

CKP

One-letter code

X

Molecule name

(2R,3R,4S,5R)-2,3,4-TRIHYDROXY-5-[(PHOSPHONATOOXY)METHYL]TETRAHYDROFURAN-2-CARBOXYLIC ACID

Synonyms

2-KETO-6-PHOSPHATE-D-GLUCONIC ACID, ALPHA-FURANOSE FORM

Systematic names

ProgramVersionName
ACDLabs 10.04 6-O-phosphono-beta-D-psicofuranosonic acid
OpenEye OEToolkits 1.5.0 (2R,3R,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolane-2-carboxylic acid

Formula

C6 H11 O10 P

Formal charge

0

Molecular weight

274.119 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[CH]1[CH](O)[C](O)(O[CH]1CO[P](O)(O)=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 C(C1C(C(C(O1)(C(=O)O)O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.385 O[C@H]1[C@@H](O)[C@@](O)(O[C@@H]1CO[P](O)(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C([C@@H]1[C@H]([C@H]([C@@](O1)(C(=O)O)O)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C6H11O10P/c7-3-2(1-15-17(12,13)14)16-6(11,4(3)8)5(9)10/h2-4,7-8,11H,1H2,(H,9,10)(H2,12,13,14)/t2-,3-,4-,6-/m1/s1

IUPAC InChI key

LXQWHMQOSMCJIZ-ZGEUXELVSA-N
CKP

wwPDB Information

Atom count

28 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-01-19

Last modified at

2017-05-11

Status

Released

Obsoleted

Not Assigned