Chemical Components in the PDB

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TEO : Summary

Code

TEO

One-letter code

X

Molecule name

MALATE LIKE INTERMEDIATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R,3Z)-2,4-dihydroxy-4-oxidobut-3-enoate
OpenEye OEToolkits 1.5.0 (Z,2R)-2,4-dihydroxy-4-oxido-but-3-enoate

Formula

C4 H4 O5

Formal charge

-2

Molecular weight

132.072 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [O-]/C(O)=C/C(O)C([O-])=O
SMILES CACTVS 3.385 O[CH](C=C(O)[O-])C([O-])=O
SMILES OpenEye OEToolkits 1.7.5 C(=C(O)[O-])C(C(=O)[O-])O
Canonical SMILES CACTVS 3.385 O[C@H](\C=C(O)\[O-])C([O-])=O
Canonical SMILES OpenEye OEToolkits 1.7.5 C(=C(\O)/[O-])\[C@H](C(=O)[O-])O

IUPAC InChI

InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h1-2,5-7H,(H,8,9)/p-2/t2-/m1/s1

IUPAC InChI key

QFBHYOKSQPPXHZ-UWTATZPHSA-L
TEO

wwPDB Information

Atom count

13 (9 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

2012-01-05

Status

Released

Obsoleted

Not Assigned