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

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3-chloropropane-1,2-diol

	Properties	Image
MNX_ID	MNXM36379
reference	chebi:18721
formula	C₃H₇ClO₂
global charge	0
mol weight	110.54
InChIKey	SSZWWUDQMAHNAQ-UHFFFAOYSA-N
InChI	InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
SMILES	OCC(O)CCl

MNX internals

InChI (mnx)	InChI=1/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3?
SMILES (mnx)	[CH2:1]([CH:3]([CH2:2][OH: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:18721 chebi:18721 SSZWWUDQMAHNAQ-UHFFFAOYSA-N	3-chloropropane-1,2-diol (RS)-3-chloro-1,2-propanediol 1-chloro-2,3-propanediol 3-Monochloro-1,2-propanediol 3-chloro-1,2-propanediol alpha-chlorohydrin chlorodeoxyglycerol
envipath:...f04f37b2bcdf envipathM:...f04f37b2bcdf SSZWWUDQMAHNAQ-UHFFFAOYSA-N	(RS)-3-Chloro-1,2-propanediol
sabiork.compound:25453 sabiorkM:25453 SSZWWUDQMAHNAQ-UHFFFAOYSA-N	1-Chloro-2,3-propandiol 3-Chloro-1,2-propanediol
metacyc.compound:CPD0-1953 metacycM:CPD0-1953 SSZWWUDQMAHNAQ-UHFFFAOYSA-N	3-chloro-1,2-propanediol
hmdb:HMDB0031334 SSZWWUDQMAHNAQ-UHFFFAOYSA-N	Glycerol alpha-monochlorohydrin (+-)-2,3-Dihydroxychloropropane (+/-)-3-chloro-1,2-propanediol (RS)-3-Chloro-1,2-propanediol 1,2-Dihydroxy-3-chloropropane 1-Chloro-1-deoxyglycerol 1-Chloro-2,3-dihydroxypropane 1-Chloro-2,3-propanediol 1-Chloropropane-2,3-diol 2,3-Dihydroxypropyl chloride 3 Chloro 1,2 propanediol 3 Chloropropanediol 3 Monochloropropane 1,2 diol 3-Chloro-1,2-dihydroxypropane 3-Chloro-1,2-propandiol 3-Chloro-1,2-propanediol 3-Chloro-1,2-propylene glycol 3-Chloropropane-1,2-diol 3-Chloropropanediol 3-Chloropropylene glycol 3-Dichloro-1,2-propanediol 3-MCPD 3-Monochloro-1,2-propanediol 3-Monochloropropane-1,2-diol 3-chloropropane-1,2-diol Chloro-1,2-dihydroxypropane Chloro-1,2-propanediol Chlorodeoxyglycerol Chloropropanediol Chloropropylene glycol Epibloc Glycerin alpha -monochlorhydrin Glycerin alpha-monochlorhydrin Glycerin epichlorohydrin Glycerine alpha-monochlorohydrin Glycerol 3-chlorohydrin Glycerol a-monochlorohydrin Glycerol alpha -chlorohydrin Glycerol alpha monochlorohydrin Glycerol chlorohydrin Glycerol-alpha -monochlorohydrin Glyceryl alpha -chlorohydrin Glyceryl alpha-chlorohydrin Glyceryl chloride Glyceryl-alpha-chlorohydrin a-Chlorohydrin a-Glycerol chlorohydrin a-Monochlorohydrin alpha Chlorhydrin alpha Chlorohydrin alpha chlorohydrin alpha-Chlorhydrin alpha-Chlorohydrin alpha-Chlorohydrine alpha-Glycerol chlorohydrin alpha-Monochlorohydrin alpha-Monochlorohydrin, glycerol alpha-chlorohydrin beta,Beta'-dihydroxyisopropyl chloride
kegg.compound:C18676 keggC:C18676 SSZWWUDQMAHNAQ-UHFFFAOYSA-N	alpha-Chlorohydrin 3-Monochloro-1,2-propanediol
seed.compound:cpd19939 seedM:cpd19939 SSZWWUDQMAHNAQ-UHFFFAOYSA-N	alpha-Chlorohydrin 3-Monochloro-1,2-propanediol 3-chloro-1,2-propanediol
envipath:...2e931aec81ca envipathM:...2e931aec81ca SSZWWUDQMAHNAQ-UHFFFAOYSA-N	compound 0040752
envipath:...a4f8e64b566a envipathM:...a4f8e64b566a SSZWWUDQMAHNAQ-UHFFFAOYSA-N	compound 0050192
hmdb:HMDB31334 keggC:M_C18676 seedM:M_cpd19939	secondary/obsolete/fantasy identifier