Summary

IMPPAT Phytochemical identifier: IMPHY004500

Phytochemical name: Cyclopentaneundecanoic acid

Synonymous chemical names:
dihydrohydnocarpic-acid

External chemical identifiers:
CID:534549, SureChEMBL:SCHEMBL3317369

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Chemical structure information

SMILES:
OC(=O)CCCCCCCCCCC1CCCC1

InChI:
InChI=1S/C16H30O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h15H,1-14H2,(H,17,18)

InChIKey:
NYPUDXUXLBGPAZ-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCCCCCCCCCCCCC5

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: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Carbocyclic fatty acids

NP-Likeness score: 0.538

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Chemical structure download