Summary

IMPPAT Phytochemical identifier: IMPHY016303

Phytochemical name: 2,3,4-Trimethylpentanoic acid

Synonymous chemical names:
2,3,4-trimethylpentanoic acid

External chemical identifiers:
CID:176505, SureChEMBL:SCHEMBL1572816

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Chemical structure information

SMILES:
CC(C(C(C(=O)O)C)C)C

InChI:
InChI=1S/C8H16O2/c1-5(2)6(3)7(4)8(9)10/h5-7H,1-4H3,(H,9,10)

InChIKey:
RWJKYJZSUKHVAN-UHFFFAOYSA-N

DeepSMILES:
CCCCC=O)O))C))C))C

Functional groups:
CC(=O)O

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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: Branched fatty acids

NP-Likeness score: 1.169

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Chemical structure download