Chemical Components in the PDB

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SRT : Summary

Code

SRT

One-letter code

X

Molecule name

S,R MESO-TARTARIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R,3S)-2,3-dihydroxybutanedioic acid
OpenEye OEToolkits 1.5.0 (2S,3R)-2,3-dihydroxybutanedioic acid

Formula

C4 H6 O6

Formal charge

0

Molecular weight

150.087 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(O)C(O)C(=O)O
SMILES CACTVS 3.341 O[CH]([CH](O)C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)O)(C(=O)O)O
Canonical SMILES CACTVS 3.341 O[C@@H]([C@@H](O)C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 [C@H]([C@H](C(=O)O)O)(C(=O)O)O

IUPAC InChI

InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+

IUPAC InChI key

FEWJPZIEWOKRBE-XIXRPRMCSA-N
SRT

wwPDB Information

Atom count

16 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-09-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned