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

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iodoacetic acid

	Properties	Image
MNX_ID	MNXM18722
reference	chebi:74571
formula	C₂H₃IO₂
global charge	0
mol weight	185.948
InChIKey	JDNTWHVOXJZDSN-UHFFFAOYSA-N
InChI	InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)
SMILES	O=C(O)CI

MNX internals

InChI (mnx)	InChI=1/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)
SMILES (mnx)	[CH2:1]([C:2](=[O:4])[OH:5])[I:3]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74571 chebi:74571 JDNTWHVOXJZDSN-UHFFFAOYSA-N	iodoacetic acid 2-iodoacetic acid CH2ICO2H CH2ICOOH ICH2CO2H ICH2COOH iodoethanoic acid monoiodoacetic acid
seed.compound:cpd27293 seedM:cpd27293 JDNTWHVOXJZDSN-UHFFFAOYSA-M	2-iodoacetate Iodoacetic acid iodoacetate monoiodoacetate
hmdb:HMDB0253518 JDNTWHVOXJZDSN-UHFFFAOYSA-N	Iodoacetic acid 2-Iodoacetate 2-Iodoacetic acid 2-iodoacetic acid Acid, iodoacetic Acid, monoiodoacetic CH2ICO2h CH2ICOOH ICH2co2h ICH2cooh Iodoacetate Iodoacetate, sodium Iodoethanoate Iodoethanoic acid Monoiodoacetate Monoiodoacetic acid Sodium iodoacetate iodoacetic acid
lipidmaps:LMFA01090135 lipidmapsM:LMFA01090135 JDNTWHVOXJZDSN-UHFFFAOYSA-N	Iodoacetic acid Iodoethanoic acid
metacyc.compound:IODOACETATE metacycM:IODOACETATE JDNTWHVOXJZDSN-UHFFFAOYSA-M	iodoacetate 2-iodoacetate monoiodoacetate
seedM:M_cpd27293	secondary/obsolete/fantasy identifier