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

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1,3-dichloropropan-2-ol

	Properties	Image
MNX_ID	MNXM32272
reference	chebi:18917
formula	C₃H₆Cl₂O
global charge	0
mol weight	128.986
InChIKey	DEWLEGDTCGBNGU-UHFFFAOYSA-N
InChI	InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2
SMILES	OC(CCl)CCl

MNX internals

InChI (mnx)	InChI=1/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2
SMILES (mnx)	[CH2:1]([CH:3]([CH2:2][Cl:5])[OH:6])[Cl:4]

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:18917 chebi:18917 DEWLEGDTCGBNGU-UHFFFAOYSA-N	1,3-dichloropropan-2-ol 1,3-DCP 1,3-Dichloro-2-propanol 1,3-dichloro-1,3-dideoxyglycerol 1,3-dichloro-2-hydroxypropane 1,3-dichlorohydrin 1,3-dichloroisopropanol 1,3-dichloroisopropyl alcohol 2-chloro-1-(chloromethyl)ethanol HOCH(CH2Cl)2 alpha,gamma-dichlorohydrin alpha-dichlorohydrin glycerol 1,3-dichlorohydrin sym-dichloroisopropyl alcohol sym-glycerol dichlorohydrin
envipath:...5b198b5dc961 envipathM:...5b198b5dc961 seed.compound:cpd10098 seedM:cpd10098 sabiork.compound:21657 sabiorkM:21657 kegg.compound:C14399 keggC:C14399 DEWLEGDTCGBNGU-UHFFFAOYSA-N	1,3-Dichloro-2-propanol
hmdb:HMDB0244163 DEWLEGDTCGBNGU-UHFFFAOYSA-N	1,3-Dichloro-2-propanol 1,3-DCP 1,3-Dichloro-1,3-dideoxyglycerol 1,3-Dichloro-2-hydroxypropane 1,3-Dichlorohydrin 1,3-Dichloroisopropanol 1,3-Dichloroisopropyl alcohol 1,3-Dichloropropan-2-ol 1,3-dichloro-2-Propanol 1,3-dichloro-2-propanol 1,3-dichloropropan-2-ol 2-Chloro-1-(chloromethyl)ethanol Glycerol 1,3-dichlorohydrin HOCH(CH2CL)2 Sym-dichloroisopropyl alcohol Sym-glycerol dichlorohydrin a,g-Dichlorohydrin a-Dichlorohydrin alpha,gamma-Dichlorohydrin alpha,gamma-dichlorohydrin alpha-Dichlorohydrin alpha-dichlorohydrin
chebi:34059 keggC:M_C14399 seedM:M_cpd10098	secondary/obsolete/fantasy identifier