Met008078: 3-Aminocaproic acid
Metabolite Information
Name
3-Aminocaproic acid
IUPAC Name
3-aminohexanoic acid
Molecular Formula
C6H13NO2
Molecular Weight
131.17
Exact Mass
131.0946287
SMILES
CCCC(CC(=O)O)N
InChIKey
YIJFIIXHVSHQEN-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO2/c1-2-3-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic acids and derivatives
Class:
Carboxylic acids and derivatives
Subclass:
Amino acids, peptides, and analogues
Crops containing this metabolite
bittermelon
broccoli
cucumber
eggplant
ginger
okra
potato
spinach
taro
tomato
turnip
broccoli
cucumber
eggplant
ginger
okra
potato
spinach
taro
tomato
turnip
Metabolite Spectrum Accession Label