Summary

IMPPAT Phytochemical identifier: IMPHY012805

Phytochemical name: Octacosanedioic acid

Synonymous chemical names:
octacosanedioic acid

External chemical identifiers:
CID:5320251, SureChEMBL:SCHEMBL2474037

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Chemical structure information

SMILES:
OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C28H54O4/c29-27(30)25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28(31)32/h1-26H2,(H,29,30)(H,31,32)

InChIKey:
WHTKRYWWSTYDNH-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC=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: Dicarboxylic acids

NP-Likeness score: 0.176

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Chemical structure download