Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000245

Phytochemical name: Tetracosanoic acid

Synonymous chemical names:
lignoceric acid, Lignoceric acid, carnaubic acid, lignoceric acids, Tetracosanoic acid, carnaubic-acid, tetracosanoic acid, n-tetracosanoic acid, lignoceric, lignoceric-acid

External chemical identifiers:
CID:CID_11197, ChEMBL:CHEMBL1173620, ChEBI:CHEBI:28866, ZINC:ZINC000006920380, FDASRS:RK3VCW5Y1L, SureChEMBL:SCHEMBL132795, MolPort-003-939-501

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C24H48O2/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/h2-23H2,1H3,(H,25,26)

InChIKey:
QZZGJDVWLFXDLK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCC=O)O

Functional groups:
CC(=O)O

Link to spectral information:
MSBNK-BS-BS003928, MSBNK-RIKEN_ReSpect-PS069807, MSBNK-RIKEN_ReSpect-PS069806, MSBNK-RIKEN-PR100438, MSBNK-BS-BS003927, MSBNK-Osaka_Univ-OUF00311, MSBNK-BS-BS003925, MSBNK-Antwerp_Univ-METOX_N109626_B8BB, MSBNK-Antwerp_Univ-METOX_N109626_9CB7, MSBNK-Antwerp_Univ-METOX_N109626_9C9C, MSBNK-BS-BS003926

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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: Unsaturated fatty acids

NP-Likeness score: 0.267

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Chemical structure download