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

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(1S,3R)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate

	Properties	Image
MNX_ID	MNXM1105846
reference	chebi:62531
formula	C₈H₉Cl₂O₂
global charge	-1
mol weight	208.064
InChIKey	LLMLSUSAKZVFOA-UJURSFKZSA-M
InChI	InChI=1S/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/p-1/t4-,6+/m0/s1
SMILES	CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6+/m0/s1
SMILES (mnx)	[CH3:1][C:8]1([CH3:2])[C@@H:4]([CH:3]=[C:5]([Cl:9])[Cl:10])[C@@H:6]1[C:7](=[O:11])[OH:12]

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:62531 chebi:62531 LLMLSUSAKZVFOA-UJURSFKZSA-M	(1S,3R)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
kegg.compound:C19844 keggC:C19844 LLMLSUSAKZVFOA-UJURSFKZSA-N	(1S,3R)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
seed.compound:cpd21086 seedM:cpd21086 LLMLSUSAKZVFOA-UJURSFKZSA-M	(1S,3R)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxlate
metacyc.compound:CPD-13114 metacycM:CPD-13114 LLMLSUSAKZVFOA-UJURSFKZSA-M	(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxlate
CHEBI:62528 chebi:62528 LLMLSUSAKZVFOA-UJURSFKZSA-N	(1S,3R)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid (-)-trans-(1S,3R)-2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylic acid (1R-trans)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid (1S,3R)-3-(2',2'-Dichlorvinyl)-2,2-dimethylcyclopropancarbonsaeure (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid 2,2-Dimethyl-3-trans-(beta,beta-dichlorvinyl)cyclopropancarbonsaeure
envipath:...0031b3a89f03 envipathM:...0031b3a89f03 envipath:...6e75942b8ded envipathM:...6e75942b8ded LLMLSUSAKZVFOA-UJURSFKZSA-N	trans-DV acid
keggC:M_C19844 seedM:M_cpd21086	secondary/obsolete/fantasy identifier