Chemical Components in the PDB

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HIU : Summary

Code

HIU

One-letter code

X

Molecule name

(2R)-3-HYDROXY-2-METHYLPROPANOIC ACID

Synonyms

3-HYDROXYISOBUTYRATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-3-hydroxy-2-methylpropanoic acid
OpenEye OEToolkits 1.5.0 (2R)-3-hydroxy-2-methyl-propanoic acid

Formula

C4 H8 O3

Formal charge

0

Molecular weight

104.105 Da

SMILES

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

IUPAC InChI

InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1

IUPAC InChI key

DBXBTMSZEOQQDU-GSVOUGTGSA-N
HIU

wwPDB Information

Atom count

15 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-03-29

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned