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
2,3,4,5,6-pentafluorobenzyl alcohol
Properties
Image
MNX_ID
MNXM150336
reference
chebi:44903
formula
C
7
H
3
F
5
O
global charge
0
mol weight
198.09
InChIKey
PGJYYCIOYBZTPU-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
SMILES
OCC1=C(F)C(F)=C(F)C(F)=C1F
MNX internals
InChI (mnx)
InChI=1/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
SMILES (mnx)
[CH2:1]([C:2]1=[C:3]([F:8])[C:5]([F:10])=[C:7]([F:12])[C:6]([F:11])=[C:4]1[F:9])[OH:13]
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:44903
chebi:44903
PGJYYCIOYBZTPU-UHFFFAOYSA-N
2,3,4,5,6-pentafluorobenzyl alcohol
(pentafluorophenyl)methanol
pentafluorobenzyl alcohol