Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004819

Phytochemical name: Nervonic acid

Synonymous chemical names:
(z)-form-tetracosenoic acid

External chemical identifiers:
CID:CID_5281120, ChEMBL:CHEMBL1173379, ChEBI:CHEBI:44247, ZINC:ZINC000006920440, FDASRS:91OQS788BE, SureChEMBL:SCHEMBL21103, MolPort-003-939-503

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Chemical structure information

SMILES:
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C24H46O2/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/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-

InChIKey:
GWHCXVQVJPWHRF-KTKRTIGZSA-N

DeepSMILES:
CCCCCCCC/C=C\CCCCCCCCCCCCCC=O)O

Functional groups:
C/C=C\C, CC(=O)O

Link to spectral information:
MSBNK-Antwerp_Univ-METOX_N106726_B8BB, MSBNK-Antwerp_Univ-METOX_N106726_9CB7

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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: 0.669

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Chemical structure download