Summary

IMPPAT Phytochemical identifier: IMPHY012216

Phytochemical name: Cyclopentylacetic acid

Synonymous chemical names:
cyclopentylacetic acid

External chemical identifiers:
CID:71606, ChEBI:167737, ZINC:ZINC000000388161, SureChEMBL:SCHEMBL221946, MolPort-001-769-833

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Chemical structure information

SMILES:
OC(=O)CC1CCCC1

InChI:
InChI=1S/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)

InChIKey:
YVHAIVPPUIZFBA-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCCCC5

Functional groups:
CC(=O)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acids

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 0.246

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Chemical structure download