Summary

IMPPAT Phytochemical identifier: IMPHY010138

Phytochemical name: 26-Methylheptacosanoic acid

Synonymous chemical names:
26-methyl-heptacosanoic acid, 26-methylheptacosanoic acid

External chemical identifiers:
CID:5282610, ChEBI:84907, ZINC:ZINC000033820169, SureChEMBL:SCHEMBL3700258

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Chemical structure information

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

InChI:
InChI=1S/C28H56O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28(29)30/h27H,3-26H2,1-2H3,(H,29,30)

InChIKey:
GCUBDUZUXAQLEY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC=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: 0.33

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Chemical structure download