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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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1-methylcyclopentanecarboxylic acid
Properties
Image
MNX_ID
MNXM32855
reference
chebi:41476
formula
C
7
H
12
O
2
global charge
0
mol weight
128.171
InChIKey
MNIBBVOEXUQHFF-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O2/c1-7(6(8)9)4-2-3-5-7/h2-5H2,1H3,(H,8,9)
SMILES
CC1(C(=O)O)CCCC1
MNX internals
InChI (mnx)
InChI=1/C7H12O2/c1-7(6(8)9)4-2-3-5-7/h2-5H2,1H3,(H,8,9)
SMILES (mnx)
[CH3:1][C:7]1([C:6](=[O:8])[OH:9])[CH2:4][CH2:2][CH2:3][CH2:5]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
CHEBI:41476
chebi:41476
MNIBBVOEXUQHFF-UHFFFAOYSA-N
1-methylcyclopentanecarboxylic acid
1-METHYL-1-CARBOXY-CYCLOPENTANE