MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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4-Butyloxazole
Properties
Image
MNX_ID
MNXM117851
reference
chebi:190146
formula
C
7
H
11
NO
global charge
0
mol weight
125.171
InChIKey
NREHHAUYDCWOQF-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO/c1-2-3-4-7-5-9-6-8-7/h5-6H,2-4H2,1H3
SMILES
CCCCC1=COC=N1
MNX internals
InChI (mnx)
InChI=1/C7H11NO/c1-2-3-4-7-5-9-6-8-7/h5-6H,2-4H2,1H3
SMILES (mnx)
[CH3:1][CH2:2][CH2:3][CH2:4][C:7]1=[CH:5][O:9][CH:6]=[N:8]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
hmdb:HMDB0038288
CHEBI:190146
chebi:190146
NREHHAUYDCWOQF-UHFFFAOYSA-N
4-Butyloxazole
4-butyl-1,3-oxazole
hmdb:HMDB38288
secondary/obsolete/fantasy identifier