Summary

IMPPAT Phytochemical identifier: IMPHY012237

Phytochemical name: Eicosanedioic acid

Synonymous chemical names:
eicosanedioic acid

External chemical identifiers:
CID:75502, ChEBI:73728, ZINC:ZINC000005178634, FDASRS:SOD235TGNZ, SureChEMBL:SCHEMBL213967, MolPort-009-756-493

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Chemical structure information

SMILES:
OC(=O)CCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24)

InChIKey:
JJOJFIHJIRWASH-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCCCCCCCCCCCCCCCCC=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: 0.234

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Chemical structure download