HIU

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

Created:	2005-03-29
Last modified:	2020-06-05

Find Related PDB Entry
4 entries where HIU is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	1
Bond Count	14
Aromatic Bond Count	0

2D diagram of HIU

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2R)-3-HYDROXY-2-METHYLPROPANOIC ACID
Synonyms	3-HYDROXYISOBUTYRATE
Systematic Name (OpenEye OEToolkits)	(2R)-3-hydroxy-2-methyl-propanoic acid
Formula	C₄ H₈ O₃
Molecular Weight	104.105
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
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
InChI	InChI	1.03	InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
InChIKey	InChI	1.03	DBXBTMSZEOQQDU-GSVOUGTGSA-N

Related Resource References

Resource Name	Reference
PubChem	11217234

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.