Summary

IMPPAT Phytochemical identifier: IMPHY015627

Phytochemical name: Docosanal

Synonymous chemical names:
docosanal

External chemical identifiers:
CID:3017068, ZINC:ZINC000062240023, SureChEMBL:SCHEMBL177433, MolPort-019-931-491

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCC=O

InChI:
InChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h22H,2-21H2,1H3

InChIKey:
ULCXRAFXRZTNRO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCC=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: 0.603

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Chemical structure download