MLI

MALONATE ION

Created:	2003-06-12
Last modified:	2024-09-27

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902 entries where MLI is found as a standalone ligand5 entries where MLI is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	-2
Atom Count	9
Chiral Atom Count	0
Bond Count	8
Aromatic Bond Count	0

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Chemical Component Summary
Name	MALONATE ION
Systematic Name (OpenEye OEToolkits)	propanedioate
Formula	C₃ H₂ O₄
Molecular Weight	102.046
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-]C(=O)CC([O-])=O
SMILES	CACTVS	3.341	[O-]C(=O)CC([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)[O-])C(=O)[O-]
Canonical SMILES	CACTVS	3.341	[O-]C(=O)CC([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)[O-])C(=O)[O-]
InChI	InChI	1.03	InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
InChIKey	InChI	1.03	OFOBLEOULBTSOW-UHFFFAOYSA-L

Drug Info: DrugBank

DrugBank ID	DB02201
Name	Malonate Ion
Groups	experimental
Synonyms	Malonate Ion

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Chorismate mutase AroH	MVRGIRGAITVEEDTPEAIHQATRELLLKMLEANGIQSYEELAAVIFTVT...	unknown
Stromal cell-derived factor 2	MAVVPLLLLGGLWSAVGASSLGVVTCGSVVKLLNTRHNVRLHSHDVRYGS...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682