MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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2,5-Dibutyl-4-methyloxazole
Properties
Image
MNX_ID
MNXM116431
reference
hmdb:HMDB0037898
formula
C
12
H
21
NO
global charge
0
mol weight
195.306
InChIKey
GJYCWEFBUWYVBX-UHFFFAOYSA-N
InChI
InChI=1S/C12H21NO/c1-4-6-8-11-10(3)13-12(14-11)9-7-5-2/h4-9H2,1-3H3
SMILES
CCCCC1=NC(C)=C(CCCC)O1
MNX internals
InChI (mnx)
InChI=1/C12H21NO/c1-4-6-8-11-10(3)13-12(14-11)9-7-5-2/h4-9H2,1-3H3
SMILES (mnx)
[CH3:1][CH2:4][CH2:6][CH2:8][C:11]1=[C:10]([CH3:3])[N:13]=[C:12]([CH2:9][CH2:7][CH2:5][CH3:2])[O:14]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:HMDB0037898
GJYCWEFBUWYVBX-UHFFFAOYSA-N
2,5-Dibutyl-4-methyloxazole
2,5-dibutyl-4-methyl-1,3-oxazole
hmdb:HMDB37898
secondary/obsolete/fantasy identifier