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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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2-Chloro-N-isopropylacetamide
Properties
Image
MNX_ID
MNXM34948
reference
envipathM:...668e0a5b6a95
formula
C
5
H
10
ClNO
global charge
0
mol weight
135.594
InChIKey
GYPNJSBBOATUPK-UHFFFAOYSA-N
InChI
InChI=1S/C5H10ClNO/c1-4(2)7-5(8)3-6/h4H,3H2,1-2H3,(H,7,8)
SMILES
CC(C)NC(=O)CCl
MNX internals
InChI (mnx)
InChI=1/C5H10ClNO/c1-4(2)7-5(8)3-6/h4H,3H2,1-2H3,(H,7,8)
SMILES (mnx)
[CH3:1][CH:4]([CH3:2])[N:7]=[C:5]([CH2:3][Cl:6])[OH:8]
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
envipath:...668e0a5b6a95
envipathM:...668e0a5b6a95
GYPNJSBBOATUPK-UHFFFAOYSA-N
2-Chloro-N-isopropylacetamide
CHEBI:19502
chebi:19502
2-chloro-N-isopropylacetamide