MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
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
new
SPARQL query
Reset session
Documents
Getting started
A short tutorial
Model internals
About
help [AT] metanetx.org
Info / How to cite
Feedback
(S)-4-(4-Methylphenyl)-2-pentanone
Properties
Image
Occurences in reactions
MNX_ID
MNXM115424
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
12
H
16
O
charge
0
mass
176.12012
reference
chebi:173483
InChIKey
QPTHNVGZXBEQOJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4-7,10H,8H2,1-3H3
SMILES
CC(=O)CC(C)c1ccc(C)cc1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
hmdb:HMDB0034177
CHEBI:173483
chebi:173483
(S)-4-(4-Methylphenyl)-2-pentanone
4-(4-methylphenyl)pentan-2-one
hmdb:HMDB34177
secondary/obsolete/fantasy identifier