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

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2-chloroethanol

	Properties	Image
MNX_ID	MNXM2318
reference	chebi:28200
formula	C₂H₅ClO
global charge	0
mol weight	80.514
InChIKey	SZIFAVKTNFCBPC-UHFFFAOYSA-N
InChI	InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
SMILES	OCCCl

MNX internals

InChI (mnx)	InChI=1/C2H5ClO/c3-1-2-4/h4H,1-2H2
SMILES (mnx)	[CH2:1]([CH2:2][OH:4])[Cl:3]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28200 chebi:28200 SZIFAVKTNFCBPC-UHFFFAOYSA-N	2-chloroethanol 2-Chloroethanol 2-chloroethyl alcohol Ethylene chlorohydrin Glycol chlorohydrin beta-chloroethanol beta-chloroethyl alcohol
envipath:...0ecdd635b5ac envipathM:...0ecdd635b5ac SZIFAVKTNFCBPC-UHFFFAOYSA-N	2-Chloroethanol
hmdb:HMDB0245068 SZIFAVKTNFCBPC-UHFFFAOYSA-N	2-Chloroethanol 2 Chlorethanol 2 Chloroethyl alcohol 2-Chlorethanol 2-Chloroethyl alcohol 2-chloroethan-1-ol 2-chloroethanol Alcohol, 2-chloroethyl Chlorohydrin, ethylene Ethylene chlorohydrin Ethylenechlorhydrin Glycol chlorohydrin b-Chloroethanol b-Chloroethyl alcohol beta-Chloroethanol beta-Chloroethyl alcohol beta-chloroethanol beta-chloroethyl alcohol
seed.compound:cpd04133 seedM:cpd04133 SZIFAVKTNFCBPC-UHFFFAOYSA-N	2-Chloroethanol 2-chloroethanol Ethylene chlorohydrin Glycol chlorohydrin
sabiork.compound:2915 sabiorkM:2915 kegg.compound:C06753 keggC:C06753 SZIFAVKTNFCBPC-UHFFFAOYSA-N	2-Chloroethanol Ethylene chlorohydrin Glycol chlorohydrin
metacyc.compound:2-CHLOROETHANOL metacycM:2-CHLOROETHANOL SZIFAVKTNFCBPC-UHFFFAOYSA-N	2-chloroethanol
envipath:...1168748a313e envipathM:...1168748a313e SZIFAVKTNFCBPC-UHFFFAOYSA-N	compound 0044515
chebi:1044 chebi:19507 keggC:M_C06753 seedM:M_cpd04133	secondary/obsolete/fantasy identifier