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
Butyro-betaine
Properties
Image
MNX_ID
MNXM16413
reference
chebi:3246
formula
C
8
H
18
NO
global charge
1
mol weight
144.238
InChIKey
NFIMAPQYTHEQEY-UHFFFAOYSA-N
InChI
InChI=1S/C8H18NO/c1-5-6-8(10)7-9(2,3)4/h5-7H2,1-4H3/q+1
SMILES
CCCC(=O)C[N+](C)(C)C
MNX internals
InChI (mnx)
InChI=1/C8H18NO/c1-5-6-8(10)7-9(2,3)4/h5-7H2,1-4H3/q+1
SMILES (mnx)
[CH3:1][CH2:5][CH2:6][C:8]([CH2:7][N+:9]([CH3:2])([CH3:3])[CH3:4])=[O:10]
Parent-child relations graph
Occurences in reactions
#reac
in my sandbox
0
in MNXref (generic)
1
in models (compartimentalized)
2
Similar chemical compounds in external resources
Identifier
Description
seed.compound:cpd08306
seedM:cpd08306
CHEBI:3246
chebi:3246
NFIMAPQYTHEQEY-UHFFFAOYSA-N
Butyro-betaine
seedM:M_cpd08306
secondary/obsolete/fantasy identifier