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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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1-bromopropane
Properties
Image
MNX_ID
MNXM150028
reference
chebi:47105
formula
C
3
H
7
Br
global charge
0
mol weight
122.993
InChIKey
CYNYIHKIEHGYOZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3
SMILES
CCCBr
MNX internals
InChI (mnx)
InChI=1/C3H7Br/c1-2-3-4/h2-3H2,1H3
SMILES (mnx)
[CH3:1][CH2:2][CH2:3][Br:4]
Parent-child relations graph
Occurences in reactions
#reac
in my sandbox
0
in MNXref (generic)
1
in models (compartimentalized)
0
Similar chemical compounds in external resources
Identifier
Description
CHEBI:47105
chebi:47105
CYNYIHKIEHGYOZ-UHFFFAOYSA-N
1-bromopropane
n-propyl bromide
sabiork.compound:21348
sabiorkM:21348
CYNYIHKIEHGYOZ-UHFFFAOYSA-N
1-Bromopropane