Chemical Components in the PDB

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GXP : Summary

Code

GXP

One-letter code

X

Molecule name

(4S)-4-hydroxy-2,5-dioxopentanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (4S)-4-hydroxy-2,5-dioxopentanoic acid
OpenEye OEToolkits 1.7.6 (4S)-4-oxidanyl-2,5-bis(oxidanylidene)pentanoic acid

Formula

C5 H6 O5

Formal charge

0

Molecular weight

146.098 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=CC(O)CC(=O)C(=O)O
SMILES CACTVS 3.385 O[CH](CC(=O)C(O)=O)C=O
SMILES OpenEye OEToolkits 1.7.6 C(C(C=O)O)C(=O)C(=O)O
Canonical SMILES CACTVS 3.385 O[C@@H](CC(=O)C(O)=O)C=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@@H](C=O)O)C(=O)C(=O)O

IUPAC InChI

InChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h2-3,7H,1H2,(H,9,10)/t3-/m0/s1

IUPAC InChI key

QZKCWTOLHHFWCD-VKHMYHEASA-N
GXP

wwPDB Information

Atom count

16 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-01-16

Last modified at

2014-12-19

Status

Released

Obsoleted

Not Assigned