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

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chloroacetate

	Properties	Image
MNX_ID	MNXM1468
reference	chebi:23123
formula	C₂H₂ClO₂
global charge	-1
mol weight	93.489
InChIKey	FOCAUTSVDIKZOP-UHFFFAOYSA-M
InChI	InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)/p-1
SMILES	O=C([O-])CCl

MNX internals

InChI (mnx)	InChI=1/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
SMILES (mnx)	[CH2:1]([C:2](=[O:4])[OH:5])[Cl:3]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:23123 chebi:23123 FOCAUTSVDIKZOP-UHFFFAOYSA-M	chloroacetate Chloroacetic acid ion(1-) chloroacetate anion chloroacetate(1-) mono-chloroacetate monochloroacetate anion monochloroacetic acid anion
lipidmaps:LMFA01090068 lipidmapsM:LMFA01090068 FOCAUTSVDIKZOP-UHFFFAOYSA-N	2-chloro-acetic acid 2-chloro-ethanoic acid
metacyc.compound:CHLOROACETIC-ACID metacycM:CHLOROACETIC-ACID FOCAUTSVDIKZOP-UHFFFAOYSA-M	2-chloroacetate chloroacetate chloroacetic acid
envipath:...260ab3632f0a envipathM:...260ab3632f0a FOCAUTSVDIKZOP-UHFFFAOYSA-M	Chloroacetate
hmdb:HMDB0031331 FOCAUTSVDIKZOP-UHFFFAOYSA-N	Chloroacetic acid 2-Chloro-acetate 2-Chloro-acetic acid 2-Chloro-ethanoate 2-Chloro-ethanoic acid 2-Chloroacetate 2-Chloroacetic acid 2-chloroacetic acid Acetocaustin Acide chloracetique Acide chloroacetique Acide monochloracetique Acidomonocloroacetico CAA CH2ClCOOH Chloracetate Chloracetic acid Chloro-acetic acid Chloroacetate Chloroacetic Chloroacetic acid (80% or less) Chloroacetic acid crystalline Chloroacetic acid, acs Chloroacetic acid, aluminum salt Chloroacetic acid, ammonium (2:1) salt Chloroacetic acid, ammonium salt Chloroacetic acid, calcium (3:1) salt Chloroacetic acid, calcium salt Chloroacetic acid, liquid Chloroacetic acid, molten Chloroacetic acid, potassium (2:1) salt Chloroacetic acid, potassium salt Chloroacetic acid, silver salt Chloroacetic acid, sodium (2:1) salt Chloroacetic acid, sodium (5:2) salt Chloroacetic acid, sodium salt Chloroacetic acid, solid Chloroacetic acid, solid (dot) Chloroacetic-acid Chloroethanoate Chloroethanoic acid MCA Monochloorazijnzuur Monochloracetic acid Monochloracetic acidacide monochloracetique Monochloressigsaeure Monochloroacetate Monochloroacetic acid Monochloroethanoate Monochloroethanoic acid SODIUM chloroacetATE Sjphlqdiktp@ a-Chloro-acetate a-Chloro-acetic acid alpha-Chloro-acetate alpha-Chloro-acetic acid alpha-Chloroacetic acid alpha-chloro-acetate alpha-chloro-acetic acid chloroacetic acid
seed.compound:cpd04135 seedM:cpd04135 FOCAUTSVDIKZOP-UHFFFAOYSA-M	Chloroacetic acid 2-chloroacetate Chloroethanoic acid chloroacetate chloroacetic acid
vmhM:M01443 vmhmetabolite:M01443 FOCAUTSVDIKZOP-UHFFFAOYSA-M	Chloroacetic acid 2-chloroacetic acid
kegg.drug:D07677 keggD:D07677 FOCAUTSVDIKZOP-UHFFFAOYSA-N	Chloroacetic acid Acetocaustin (TN)
sabiork.compound:2917 sabiorkM:2917 FOCAUTSVDIKZOP-UHFFFAOYSA-N	Chloroacetic acid Chloroacetate Chloroethanoic acid
kegg.compound:C06755 keggC:C06755 FOCAUTSVDIKZOP-UHFFFAOYSA-N	Chloroacetic acid Chloroethanoic acid
CHEBI:27869 chebi:27869 FOCAUTSVDIKZOP-UHFFFAOYSA-N	chloroacetic acid 2-chloro-acetic acid 2-chloro-ethanoic acid 2-chloroacetic acid Acide chloracetique Acide chloroacetique Acide monochloracetique CAA Chloroacetic acid Chloroethanoic acid Monochloressigsaeure alpha-chloro-acetic acid chloracetic acid monochloroacetic acid monochloroethanoic acid
envipath:...ea20a7146db8 envipathM:...ea20a7146db8 FOCAUTSVDIKZOP-UHFFFAOYSA-M	compound 0039893
hmdb:HMDB31331 chebi:23125 chebi:3622 keggC:M_C06755 keggD:M_D07677 seedM:M_cpd04135 vmhM:M_M01443	secondary/obsolete/fantasy identifier