Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

TEO

Summary
Name:MALATE LIKE INTERMEDIATE
Formula:C4 H4 O5
Formal charge:-2
Formula weight:132.072 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,3Z)-2,4-dihydroxy-4-oxidobut-3-enoate
OpenEye OEToolkits1.5.0(Z,2R)-2,4-dihydroxy-4-oxido-but-3-enoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-]/C(O)=C/C(O)C([O-])=O
InChIInChI1.03InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h1-2,5-7H,(H,8,9)/p-2/t2-/m1/s1
InChIKeyInChI1.03QFBHYOKSQPPXHZ-UWTATZPHSA-L
SMILES_CANONICALCACTVS3.385O[C@H](\C=C(O)\[O-])C([O-])=O
SMILESCACTVS3.385O[CH](C=C(O)[O-])C([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.7.5C(=C(\O)/[O-])\[C@H](C(=O)[O-])O
SMILESOpenEye OEToolkits1.7.5C(=C(O)[O-])C(C(=O)[O-])O

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon