MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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Summary
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Analyze
Flux balance (FBA)
Groups of coupled reactions (GCR)
Blocked reactions (BLO)
Reaction knockout (RKO)
Gene/peptide knockout (PKO)
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Combine logically
Split and merge
Growth recovery (GRE)
Build from a genome (BUILD)
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A short tutorial
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cyclododecyne
Properties
Image
MNX_ID
MNXM48106
reference
chebi:37819
formula
C
12
H
20
global charge
0
mol weight
164.292
InChIKey
BYDOJAHKOHCERE-UHFFFAOYSA-N
InChI
InChI=1S/C12H20/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-10H2
SMILES
C1#CCCCCCCCCCC1
MNX internals
InChI (mnx)
InChI=1/C12H20/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-10H2
SMILES (mnx)
[CH2:1]1[CH2:2][CH2:4][CH2:6][CH2:8][CH2:10][C:12]#[C:11][CH2:9][CH2:7][CH2:5][CH2:3]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:37819
chebi:37819
BYDOJAHKOHCERE-UHFFFAOYSA-N
cyclododecyne