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
Chlorindanol (USAN/INN)
Properties
Image
MNX_ID
MNXM46365
reference
keggD:D03464
formula
C
9
H
9
ClO
global charge
0
mol weight
168.623
InChIKey
ATAJVFBUUIBIEO-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO/c10-8-4-5-9(11)7-3-1-2-6(7)8/h4-5,11H,1-3H2
SMILES
OC1=C2CCCC2=C(Cl)C=C1
MNX internals
InChI (mnx)
InChI=1/C9H9ClO/c10-8-4-5-9(11)7-3-1-2-6(7)8/h4-5,11H,1-3H2
SMILES (mnx)
[CH2:1]1[CH2:2][C:6]2=[C:7]([CH2:3]1)[C:9]([OH:11])=[CH:5][CH:4]=[C:8]2[Cl:10]
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
kegg.drug:D03464
keggD:D03464
ATAJVFBUUIBIEO-UHFFFAOYSA-N
Chlorindanol (USAN/INN)
keggD:M_D03464
secondary/obsolete/fantasy identifier