Chemical Components in the PDB

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23B : Summary

Code

23B

One-letter code

X

Molecule name

(2S,3R)-2,3-dihydroxy-2-methylbutanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S,3R)-2,3-dihydroxy-2-methylbutanoic acid
OpenEye OEToolkits 1.7.6 (2S,3R)-2-methyl-2,3-bis(oxidanyl)butanoic acid

Formula

C5 H10 O4

Formal charge

0

Molecular weight

134.13 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(O)(C)C(O)C
SMILES CACTVS 3.370 C[CH](O)[C](C)(O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CC(C(C)(C(=O)O)O)O
Canonical SMILES CACTVS 3.370 C[C@@H](O)[C@](C)(O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C[C@H]([C@@](C)(C(=O)O)O)O

IUPAC InChI

InChI=1S/C5H10O4/c1-3(6)5(2,9)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-,5+/m1/s1

IUPAC InChI key

AOWPAWLEXIYETE-WUJLRWPWSA-N
23B

wwPDB Information

Atom count

19 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-06-13

Last modified at

2013-09-06

Status

Released

Obsoleted

Not Assigned