Chemical Components in the PDB

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KDP : Summary

Code

KDP

One-letter code

X

Molecule name

2-KETO-DEOXY-GALACTOSE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-deoxy-6-O-phosphono-D-threo-hex-2-ulosonic acid
OpenEye OEToolkits 1.5.0 (4R,5R)-4,5-dihydroxy-2-oxo-6-phosphonooxy-hexanoic acid

Formula

C6 H11 O9 P

Formal charge

0

Molecular weight

258.12 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC(O)C(O)CC(=O)C(=O)O
SMILES CACTVS 3.341 O[CH](CO[P](O)(O)=O)[CH](O)CC(=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(COP(=O)(O)O)O)O)C(=O)C(=O)O
Canonical SMILES CACTVS 3.341 O[C@H](CO[P](O)(O)=O)[C@H](O)CC(=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 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-/m1/s1

IUPAC InChI key

OVPRPPOVAXRCED-NQXXGFSBSA-N
KDP

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

2007-08-02

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned