Summary

IMPPAT Phytochemical identifier: IMPHY016674

Phytochemical name: Heneicosanal

Synonymous chemical names:
heneicosanal

External chemical identifiers:
CID:12052911, FDASRS:4PGK075SA7, SureChEMBL:SCHEMBL371480

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCC=O

InChI:
InChI=1S/C21H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h21H,2-20H2,1H3

InChIKey:
FJZCFGKQFDPNHS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCC=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: 0.63

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Chemical structure download