SUH

(2S)-2-methylbutanedioic acid

Created:	2014-07-28
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where SUH is covalently linked to polymer or other heterogen groups

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	17
Chiral Atom Count	1
Bond Count	16
Aromatic Bond Count	0

2D diagram of SUH

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2S)-2-methylbutanedioic acid
Systematic Name (OpenEye OEToolkits)	(2S)-2-methylbutanedioic acid
Formula	C₅ H₈ O₄
Molecular Weight	132.115
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CC(C(=O)O)C
SMILES	CACTVS	3.385	C[CH](CC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(CC(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	C[C@@H](CC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@@H](CC(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKey	InChI	1.03	WXUAQHNMJWJLTG-VKHMYHEASA-N

Related Resource References

Resource Name	Reference
PubChem	6950476
ChEBI	CHEBI:91316
CCDC/CSD	ROQLOA, ROQLUG, ROQLEQ, YAMQAH

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.