HUI

(2S)-2-methyl-3-oxidanyl-propanoic acid

Created:	2017-08-29
Last modified:	2020-06-05

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2 entries where HUI 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 HUI

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Chemical Component Summary
Name	(2S)-2-methyl-3-oxidanyl-propanoic acid
Synonyms	(S)-3-hydroxyisobutyric acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-methyl-3-oxidanyl-propanoic acid
Formula	C₄ H₈ O₃
Molecular Weight	104.105
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](CO)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CC(CO)C(=O)O
Canonical SMILES	CACTVS	3.385	C[C@@H](CO)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	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-/m0/s1
InChIKey	InChI	1.03	DBXBTMSZEOQQDU-VKHMYHEASA-N

Related Resource References

Resource Name	Reference
PubChem	440873
ChEBI	CHEBI:37373

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.