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
3,4,5-trimethylphenol
Properties
Image
MNX_ID
MNXM36025
reference
chebi:38896
formula
C
9
H
12
O
global charge
0
mol weight
136.194
InChIKey
FDQQNNZKEJIHMS-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3
SMILES
CC1=CC(O)=CC(C)=C1C
MNX internals
InChI (mnx)
InChI=1/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3
SMILES (mnx)
[CH3:1][C:6]1=[CH:4][C:9]([OH:10])=[CH:5][C:7]([CH3:2])=[C:8]1[CH3:3]
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:38896
chebi:38896
FDQQNNZKEJIHMS-UHFFFAOYSA-N
3,4,5-trimethylphenol
1-Hydroxy-3,4,5-trimethylbenzene
3,4,5-Hemimellitenol
5-Hydroxy-1,2,3-trimethylbenzene