MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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2-Pentyloxazole
Properties
Image
MNX_ID
MNXM116970
reference
chebi:179652
formula
C
8
H
13
NO
global charge
0
mol weight
139.198
InChIKey
TWTMHOPOBRKCKX-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO/c1-2-3-4-5-8-9-6-7-10-8/h6-7H,2-5H2,1H3
SMILES
CCCCCC1=NC=CO1
MNX internals
InChI (mnx)
InChI=1/C8H13NO/c1-2-3-4-5-8-9-6-7-10-8/h6-7H,2-5H2,1H3
SMILES (mnx)
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C:8]1=[N:9][CH:6]=[CH:7][O: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:HMDB0037818
CHEBI:179652
chebi:179652
TWTMHOPOBRKCKX-UHFFFAOYSA-N
2-Pentyloxazole
2-pentyl-1,3-oxazole
hmdb:HMDB37818
secondary/obsolete/fantasy identifier