MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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4-Ethyl-2-heptyl-5-methylthiazole
Properties
Image
MNX_ID
MNXM117872
reference
hmdb:HMDB0040094
formula
C
13
H
23
NS
global charge
0
mol weight
225.401
InChIKey
SSLICXPSYONSAZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H23NS/c1-4-6-7-8-9-10-13-14-12(5-2)11(3)15-13/h4-10H2,1-3H3
SMILES
CCCCCCCC1=NC(CC)=C(C)S1
MNX internals
InChI (mnx)
InChI=1/C13H23NS/c1-4-6-7-8-9-10-13-14-12(5-2)11(3)15-13/h4-10H2,1-3H3
SMILES (mnx)
[CH3:1][CH2:4][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C:13]1=[N:14][C:12]([CH2:5][CH3:2])=[C:11]([CH3:3])[S:15]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:HMDB0040094
SSLICXPSYONSAZ-UHFFFAOYSA-N
4-Ethyl-2-heptyl-5-methylthiazole
4-ethyl-2-heptyl-5-methyl-1,3-thiazole
hmdb:HMDB40094
secondary/obsolete/fantasy identifier