3HR

(3R)-3-hydroxybutanoic acid

Created:	2012-01-30
Last modified:	2012-01-30

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4 entries where 3HR is found as a standalone ligand

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

2D diagram of 3HR

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Chemical Component Summary
Name	(3R)-3-hydroxybutanoic acid
Systematic Name (OpenEye OEToolkits)	(3R)-3-oxidanylbutanoic acid
Formula	C₄ H₈ O₃
Molecular Weight	104.105
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CC(O)C
SMILES	CACTVS	3.370	C[CH](O)CC(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(CC(=O)O)O
Canonical SMILES	CACTVS	3.370	C[C@@H](O)CC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@H](CC(=O)O)O
InChI	InChI	1.03	InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
InChIKey	InChI	1.03	WHBMMWSBFZVSSR-GSVOUGTGSA-N

Related Resource References

Resource Name	Reference
PubChem	92135
ChEMBL	CHEMBL1162484
ChEBI	CHEBI:17066

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.