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

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chloral hydrate

	Properties	Image
MNX_ID	MNXM5666
reference	chebi:28142
formula	C₂H₃Cl₃O₂
global charge	0
mol weight	165.403
InChIKey	RNFNDJAIBTYOQL-UHFFFAOYSA-N
InChI	InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H
SMILES	OC(O)C(Cl)(Cl)Cl

MNX internals

InChI (mnx)	InChI=1/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H
SMILES (mnx)	[CH:1]([C:2]([Cl:3])([Cl:4])[Cl:5])([OH:6])[OH:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28142 chebi:28142 RNFNDJAIBTYOQL-UHFFFAOYSA-N	chloral hydrate 1,1,1-trichloro-2,2-dihydroxyethane 1,1,1-trichloro-2,2-ethanediol 2,2,2-trichloro-1,1-ethanediol 2,2,2-trichloroethane-1,1-diol Aquachloral Supprettes Chloral hydrate Chloralhydrat Noctec Somnote Trichloracetaldehyd-hydrat chloral monohydrate knockout drops trichloroacetaldehyde hydrate
vmhM:M01440 vmhmetabolite:M01440 RNFNDJAIBTYOQL-UHFFFAOYSA-N	Chloral Hydrate 2,2,2-trichloroethane-1,1-diol
envipath:...aa786b3243f0 envipathM:...aa786b3243f0 sabiork.compound:9022 sabiorkM:9022 kegg.compound:C06899 keggC:C06899 RNFNDJAIBTYOQL-UHFFFAOYSA-N	Chloral hydrate
kegg.drug:D00265 keggD:D00265 RNFNDJAIBTYOQL-UHFFFAOYSA-N	Chloral hydrate (JP18/USP) Noctec (TN)
hmdb:HMDB0060451 RNFNDJAIBTYOQL-UHFFFAOYSA-N	Chloral hydrate 1,1,1-Trichloro-2,2-dihydroxyethane 1,1,1-Trichloro-2,2-ethanediol 2,2,2-Trichloro-1,1-ethanediol 2,2,2-trichloroethane-1,1-diol Aquachloral supprettes Chloral hydric acid Chloral monohydrate Chloral monohydric acid Chloralhydrat Hydrate, chloral Knockout drops Noctec Somnote Trichloracetaldehyd-hydrat Trichloroacetaldehyde hydrate Trichloroacetaldehyde hydric acid chloral hydrate
seed.compound:cpd04248 seedM:cpd04248 RNFNDJAIBTYOQL-UHFFFAOYSA-N	Chloral hydrate chloral hydrate
metacyc.compound:CPD0-1476 metacycM:CPD0-1476 RNFNDJAIBTYOQL-UHFFFAOYSA-N	chloral hydrate
hmdb:HMDB60451 chebi:23105 chebi:3600 keggC:M_C06899 keggD:M_D00265 seedM:M_cpd04248 vmhM:M_M01440	secondary/obsolete/fantasy identifier