Chemical Components in the PDB

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MLT : Summary

Code

MLT

One-letter code

X

Molecule name

D-MALATE

Synonyms

(2R)-2-HYDROXYBUTANEDIOIC ACID
2-HYDROXY-SUCCINIC ACID

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2-hydroxybutanedioic acid
OpenEye OEToolkits 1.7.6 (2R)-2-oxidanylbutanedioic acid

Formula

C4 H6 O5

Formal charge

0

Molecular weight

134.087 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(O)CC(=O)O
SMILES CACTVS 3.370 O[CH](CC(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(C(C(=O)O)O)C(=O)O
Canonical SMILES CACTVS 3.370 O[C@H](CC(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@H](C(=O)O)O)C(=O)O

IUPAC InChI

InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1

IUPAC InChI key

BJEPYKJPYRNKOW-UWTATZPHSA-N
MLT

wwPDB Information

Atom count

15 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAI

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned