Summary

IMPPAT Phytochemical identifier: IMPHY000038

Phytochemical name: 8-Methylnonanoic acid

Synonymous chemical names:
isocapric acid

External chemical identifiers:
CID:111470, ZINC:ZINC000002043770, FDASRS:LW5786QCKT, SureChEMBL:SCHEMBL633844, MolPort-001-764-457

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Chemical structure information

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

InChI:
InChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)

InChIKey:
OAOABCKPVCUNKO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=O)O))))))))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: 0.824

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Chemical structure download