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

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chlordecone alcohol

	Properties	Image
MNX_ID	MNXM4522
reference	chebi:17184
formula	C₁₀H₂Cl₁₀O
global charge	0
mol weight	492.655
InChIKey	MBEIHNKADVMCJM-UHFFFAOYSA-N
InChI	InChI=1S/C10H2Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/h1,21H
SMILES	OC1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl

MNX internals

InChI (mnx)	InChI=1/C10H2Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/h1,21H/t1?,2?,3?,4?,5?,6?,7?,8?,9?
SMILES (mnx)	[CH:1]1([OH:21])[C:2]2([Cl:11])[C:4]3([Cl:13])[C:6]4([Cl:15])[C:3]1([Cl:12])[C:7]1([Cl:16])[C:5]2([Cl:14])[C:8]3([Cl:17])[C:10]([Cl:19])([Cl:20])[C:9]41[Cl:18]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17184 chebi:17184 MBEIHNKADVMCJM-UHFFFAOYSA-N	chlordecone alcohol 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-1H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-ol 1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-ol Chlordecone alcohol reduced kepone
kegg.compound:C02817 keggC:C02817 MBEIHNKADVMCJM-UHFFFAOYSA-N	Chlordecone alcohol
hmdb:HMDB0001219 MBEIHNKADVMCJM-UHFFFAOYSA-N	Chlordecone alcohol 1,2,3,4,6,7,8,9,10,10-Decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-ol 1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0²,⁶.0³,⁹.0⁴,⁸]decan-5-ol Kepol Reduced kepone kepol
seed.compound:cpd01823 seedM:cpd01823 MBEIHNKADVMCJM-UHFFFAOYSA-N	Chlordecone alcohol chlordecone alcohol
metacyc.compound:CHLORDECONE-ALCOHOL metacycM:CHLORDECONE-ALCOHOL MBEIHNKADVMCJM-UHFFFAOYSA-N	chlordecone alcohol
hmdb:HMDB01219 chebi:13969 chebi:23111 chebi:3610 keggC:M_C02817 seedM:M_cpd01823	secondary/obsolete/fantasy identifier