Summary

IMPPAT Phytochemical identifier: IMPHY005559

Phytochemical name: 23-Methyl-tetracosanoic acid

Synonymous chemical names:
isopentacosanoic acid

External chemical identifiers:
CID:5282607, ChEBI:165371, ZINC:ZINC000033820167, SureChEMBL:SCHEMBL2804871

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Chemical structure information

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

InChI:
InChI=1S/C25H50O2/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25(26)27/h24H,3-23H2,1-2H3,(H,26,27)

InChIKey:
MLLNAEIUHLSUPB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCC=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: 0.366

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Chemical structure download