Chemical Components in the PDB

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MAK : Summary

Code

MAK

One-letter code

X

Molecule name

ALPHA-KETOMALONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 oxopropanedioic acid
OpenEye OEToolkits 1.5.0 2-oxopropanedioic acid

Formula

C3 H2 O5

Formal charge

0

Molecular weight

118.045 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(=O)C(=O)O
SMILES CACTVS 3.341 OC(=O)C(=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(=O)(C(=O)O)C(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)C(=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(=O)(C(=O)O)C(=O)O

IUPAC InChI

InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)

IUPAC InChI key

XEEVLJKYYUVTRC-UHFFFAOYSA-N
MAK

wwPDB Information

Atom count

10 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned