MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
Search MNXref
My Selection
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
Improving metabolite identification
A short tutorial
Model internals
About
help [AT] metanetx.org
Info / How to cite
Feedback
3-bromo-4-(dimethylamino)benzaldehyde
Properties
Image
MNX_ID
MNXM36345
reference
chebi:60278
formula
C
9
H
10
BrNO
global charge
0
mol weight
228.089
InChIKey
VWOYSIGIEVHTRQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10BrNO/c1-11(2)9-4-3-7(6-12)5-8(9)10/h3-6H,1-2H3
SMILES
CN(C)C1=C(Br)C=C(C=O)C=C1
MNX internals
InChI (mnx)
InChI=1/C9H10BrNO/c1-11(2)9-4-3-7(6-12)5-8(9)10/h3-6H,1-2H3
SMILES (mnx)
[CH3:1][N:11]([CH3:2])[C:9]1=[C:8]([Br:10])[CH:5]=[C:7]([CH:6]=[O:12])[CH:3]=[CH:4]1
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:60278
chebi:60278
VWOYSIGIEVHTRQ-UHFFFAOYSA-N
3-bromo-4-(dimethylamino)benzaldehyde
3-bromo-4-(N,N-dimethylamino)benzaldehyde
3-bromo-p-dimethylaminobenzaldehyde