MDD

MALONALDEHYDE

Created:	2004-07-22
Last modified:	2024-09-27

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1 entries where MDD is covalently linked to polymer or other heterogen groups

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

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Chemical Component Summary
Name	MALONALDEHYDE
Systematic Name (OpenEye OEToolkits)	propanedial
Formula	C₃ H₄ O₂
Molecular Weight	72.063
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=CCC=O
SMILES	CACTVS	3.341	O=CCC=O
SMILES	OpenEye OEToolkits	1.5.0	C(C=O)C=O
Canonical SMILES	CACTVS	3.341	O=CCC=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(C=O)C=O
InChI	InChI	1.03	InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2
InChIKey	InChI	1.03	WSMYVTOQOOLQHP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03057
Name	Malonaldehyde
Groups	experimental
Description	Malonaldehyde is the dialdehyde of [malonic acid].
Synonyms	Malonic aldehyde Malonic dialdehyde Malondialdehyde Malonaldehyde Malonodialdehyde
Categories	Aldehydes
CAS number	542-78-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-lactamase SHV-1	MRYIRLCIISLLATLPLAVHASPQPLEQIKLSESQLSGRVGMIEMDLASG...	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