MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
Search MNXref
My Selection
Summary
Pick from repository
Import model
Upload reactions
Delete models
Upload genome
Revived!
Analyze
Flux balance (FBA)
Groups of coupled reactions (GCR)
Blocked reactions (BLO)
Reaction knockout (RKO)
Gene/peptide knockout (PKO)
Create / Modify
Combine logically
Split and merge
Growth recovery (GRE)
Build from a genome (BUILD)
Revived!
Utilities
Search/Download MNXref namespace
MNXref ID mapper
SPARQL query
Reset session
Documents
Getting started
A short tutorial
Model internals
About
help [AT] metanetx.org
Info / How to cite
Feedback
2-chlorobutane
Properties
Image
MNX_ID
MNXM1128499
reference
chebi:166855
formula
C
4
H
9
Cl
global charge
0
mol weight
92.569
InChIKey
BSPCSKHALVHRSR-UHFFFAOYSA-N
InChI
InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3
SMILES
CCC(C)Cl
MNX internals
InChI (mnx)
InChI=1/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3/t4?
SMILES (mnx)
[CH3:1][CH2:3][CH:4]([CH3:2])[Cl:5]
Parent-child relations graph
Occurences in reactions
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
Similar chemical compounds in external resources
Identifier
Description
CHEBI:166855
chebi:166855
BSPCSKHALVHRSR-UHFFFAOYSA-N
2-chlorobutane
1-chloro-1-methylpropane
1-methylpropyl chloride
2-chloro-butane
butane, 2-chloro-
sec-butyl chloride