Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID003246
Phytochemical name: Cyclohexanecarboxylic acid
Synonymous chemical names:cyclohexanecarboxylic acid
External chemical identifiers:CID:CID_7413, ChEBI:CHEBI:36096, ZINC:ZINC000012358763, FDASRS:H9VKD9VL18, SureChEMBL:SCHEMBL6501, MolPort-000-871-571
Chemical structure information
SMILES:
OC(=O)C1CCCCC1InChI:
InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)InChIKey:
NZNMSOFKMUBTKW-UHFFFAOYSA-NDeepSMILES:
OC=O)CCCCCC6Functional groups:
CC(=O)OLink to spectral information:
MSBNK-Keio_Univ-KO000539, MSBNK-Keio_Univ-KO000540, MSBNK-Keio_Univ-KO000541, MSBNK-Keio_Univ-KO000542, MSBNK-Keio_Univ-KO000543
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CCCCC1Scaffold Graph/Node level:
C1CCCCC1Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic acids and derivativesClassyFire Class: Carboxylic acids and derivatives
ClassyFire Subclass: Carboxylic acids
NP Classifier Biosynthetic pathway: Amino acids and Peptides
NP Classifier Superclass: Small peptides
NP Classifier Class: Aminoacids
NP-Likeness score: 0.001
Chemical structure download
