MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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malonate

	Properties	Image
MNX_ID	MNXM730881
reference	chebi:15792
formula	C₃H₂O₄
global charge	-2
mol weight	102.045
InChIKey	OFOBLEOULBTSOW-UHFFFAOYSA-L
InChI	InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
SMILES	O=C([O-])CC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
SMILES (mnx)	[CH2:1]([C:2](=[O:4])[OH:5])[C:3](=[O:6])[OH:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	44
in models (compartimentalized)	18

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15792 chebi:15792 OFOBLEOULBTSOW-UHFFFAOYSA-L	malonate (-)OOC-CH2-COO(-) MALONATE ION malo malonate(2-) malonic acid, ion(2-) propanedioate propanedioic acid, ion(2-)
seed.compound:cpd12000 seedM:cpd12000	Dicarboxylate Dicarboxylic acid
SLM:000000866 slm:000000866 vmhM:malon vmhmetabolite:malon OFOBLEOULBTSOW-UHFFFAOYSA-L OFOBLEOULBTSOW-UHFFFAOYSA-N	Malonate
sabiork.compound:2035 sabiorkM:2035 kegg.compound:C00383 keggC:C00383 OFOBLEOULBTSOW-UHFFFAOYSA-N	Malonate Malonic acid Propanedioic acid
seed.compound:cpd00308 seedM:cpd00308 OFOBLEOULBTSOW-UHFFFAOYSA-L	Malonate Malonic acid Propanedioic acid maln malonate malonic acid malonyl propanedioic acid
bigg.metabolite:HC00319 biggM:HC00319 OFOBLEOULBTSOW-UHFFFAOYSA-L	Malonate propanedioate
vmhM:HC00319 vmhmetabolite:HC00319 OFOBLEOULBTSOW-UHFFFAOYSA-L	Malonate propanedioic acid
hmdb:HMDB0000691 OFOBLEOULBTSOW-UHFFFAOYSA-N	Malonic acid Carboxyacetic acid Dicarboxylate Dicarboxylic acid Dicarboxymethane Dithallium malonate H2Malo HOOC-CH2-COOH Kyselina malonova Malonate Malonate dicarboxylic acid Malonic acid, 1,3-(14)C2-labeled Malonic acid, 2-(14)C-labeled Malonic acid, diammonium salt Malonic acid, dipotassium salt Malonic acid, disodium salt Malonic acid, disodium salt, 1-(14)C-labeled Malonic acid, dithallium salt Malonic acid, monocalcium salt Malonic acid, monosodium salt Malonic acid, potassium salt Malonic acid, sodium salt Metahnedicarboxylic acid Methanedicarbonic acid Methanedicarboxylic acid Monosodium malonate Propanedioate Propanedioic acid Propanedioic acid dithallium salt Propanediolic acid Thallium malonate Thallous malonate alpha,Omega-dicarboxylic acid malonic acid propanedioic acid
lipidmaps:LMFA01170041 lipidmapsM:LMFA01170041 OFOBLEOULBTSOW-UHFFFAOYSA-N	Malonic acid FA 3:1 O2 Propanedioic acid
seed.compound:cpd12448 seedM:cpd12448	alpha,omega-Dicarboxylic acid
envipath:...582e929c9ac5 envipathM:...582e929c9ac5 OFOBLEOULBTSOW-UHFFFAOYSA-L	compound 0000604
CHEBI:30795 chebi:30795 OFOBLEOULBTSOW-UHFFFAOYSA-M	malonate(1-) HOOC-CH2-COO(-) Hmalo Malonic acid, conjugate base carboxyacetate
metacyc.compound:MALONATE metacycM:MALONATE OFOBLEOULBTSOW-UHFFFAOYSA-L	malonate malonic acid malonyl propanedioic acid
CHEBI:30794 chebi:30794 OFOBLEOULBTSOW-UHFFFAOYSA-N	malonic acid H2malo HOOC-CH2-COOH MALONIC ACID Malonic acid Propanedioic acid propanedioic acid
hmdb:HMDB00691 chebi:14563 chebi:25130 chebi:25132 chebi:44060 chebi:44151 chebi:6660 biggM:M_HC00319 keggC:M_C00383 seedM:M_cpd00308 seedM:M_cpd12000 seedM:M_cpd12448 vmhM:M_HC00319 vmhM:M_malon	secondary/obsolete/fantasy identifier