Chemical Components in the PDB

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TTN : Summary

Code

TTN

One-letter code

X

Molecule name

TARTRONATE

Systematic names

ProgramVersionName
ACDLabs 10.04 hydroxypropanedioate
OpenEye OEToolkits 1.5.0 2-hydroxypropanedioate

Formula

C3 H2 O5

Formal charge

-2

Molecular weight

118.045 Da

SMILES

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

IUPAC InChI

InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)/p-2

IUPAC InChI key

ROBFUDYVXSDBQM-UHFFFAOYSA-L
TTN

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

2000-02-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned