Summary

IMPPAT Phytochemical identifier: IMPHY005656

Phytochemical name: Nonacosanoic acid

Synonymous chemical names:
nonacosanoic acid

External chemical identifiers:
CID:20245, ChEBI:84867, ZINC:ZINC000032787446, FDASRS:PD7M4BT88J, SureChEMBL:SCHEMBL2053632, MolPort-003-958-957

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C29H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-28H2,1H3,(H,30,31)

InChIKey:
IHEJEKZAKSNRLY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)O

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: Hydroxy fatty acids, Unsaturated fatty acids

NP-Likeness score: 0.224

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Chemical structure download