Summary

IMPPAT Phytochemical identifier: IMPHY015642

Phytochemical name: Icosanal

Synonymous chemical names:
eicosanal

External chemical identifiers:
CID:75458, ZINC:ZINC000059725627, FDASRS:ZNJ1NXP04J, SureChEMBL:SCHEMBL154928, MolPort-006-114-281

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCC=O

InChI:
InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h20H,2-19H2,1H3

InChIKey:
FWBUWJHWAKTPHI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCC=O

Functional groups:
CC=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 aldehydes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 0.66

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Chemical structure download