PDB Chemical Component TEO

Ideal Model

Chemical Description

Name MALATE LIKE INTERMEDIATE
Formula C4 H4 O5
Formal charge -2
Molecular weight 132.072 g/mol
Component type NON-POLYMER

Chemical features

Atom count 13
Chiral atom count 1
Chiral atoms C2
Bond count 12
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) (2R,3Z)-2,4-dihydroxy-4-oxidobut-3-enoate
Systematic name (OpenEye OEToolkits) (Z,2R)-2,4-dihydroxy-4-oxido-but-3-enoate

Chemical Descriptors

Stereo SMILES (CACTVS) O[C@H](\C=C(O)\[O-])C([O-])=O
SMILES (CACTVS) O[CH](C=C(O)[O-])C([O-])=O
Stereo SMILES (OpenEye) C(=C(/O)\[O-])/[C@H](C(=O)[O-])O
InChI descriptor InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h1-2,5-7H,(H,8,9)/p-2/t2-/m1/s1/fC4H4O5/h6h/q-2/b3-1-
InChIKey descriptor QFBHYOKSQPPXHZ-JGVANRAMDM

Status Information

Last modified 2008-10-14
Created 1999-07-08
Release status REL
Model PDB code 1QJD
Processing site PDBJ