LMR

(2S)-2-hydroxybutanedioic acid

Created:	2008-03-24
Last modified:	2024-09-27

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109 entries where LMR 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 LMR

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Chemical Component Summary
Name	(2S)-2-hydroxybutanedioic acid
Synonyms	L-Malate
Systematic Name (OpenEye OEToolkits)	(2S)-2-hydroxybutanedioic acid
Formula	C₄ H₆ O₅
Molecular Weight	134.087
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CC(O)C(=O)O
SMILES	CACTVS	3.341	O[CH](CC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(=O)O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	O[C@@H](CC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H](C(=O)O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey	InChI	1.03	BJEPYKJPYRNKOW-REOHCLBHSA-N

Related Resource References

Resource Name	Reference
PubChem	138628585, 222656
ChEBI	CHEBI:30797
CCDC/CSD	NIVYOG, YUQQOS, COFRUK11, CESVEB, SACSOE, CODCOO, CUZPIY, WENLOT, HUDYAJ, XIYSOQ, DLMALC11, NIVYOG01, NATDUK, CIZTAH, XASDIE, HOZPOD, ZELNIR
COD	7229993, 7227922

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.