MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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2-Methyl-4-pentyloxazole
Properties
Image
MNX_ID
MNXM116869
reference
chebi:189811
formula
C
9
H
15
NO
global charge
0
mol weight
153.225
InChIKey
ZXUCSFQOFMHELZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H15NO/c1-3-4-5-6-9-7-11-8(2)10-9/h7H,3-6H2,1-2H3
SMILES
CCCCCC1=COC(C)=N1
MNX internals
InChI (mnx)
InChI=1/C9H15NO/c1-3-4-5-6-9-7-11-8(2)10-9/h7H,3-6H2,1-2H3
SMILES (mnx)
[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][C:9]1=[CH:7][O:11][C:8]([CH3:2])=[N:10]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:HMDB0037856
CHEBI:189811
chebi:189811
ZXUCSFQOFMHELZ-UHFFFAOYSA-N
2-Methyl-4-pentyloxazole
2-methyl-4-pentyl-1,3-oxazole
hmdb:HMDB37856
secondary/obsolete/fantasy identifier