Summary

IMPPAT Phytochemical identifier: IMPHY015336

Phytochemical name: (3E)-3-Heptadecenal

Synonymous chemical names:
3-heptadecenal

External chemical identifiers:
CID:5363336

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Chemical structure information

SMILES:
CCCCCCCCCCCCC/C=C/CC=O

InChI:
InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h14-15,17H,2-13,16H2,1H3/b15-14+

InChIKey:
AAVNAKZCKBOHTQ-CCEZHUSRSA-N

DeepSMILES:
CCCCCCCCCCCCC/C=C/CC=O

Functional groups:
C/C=C/C, 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: 1.364

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Chemical structure download