Summary

IMPPAT Phytochemical identifier: IMPHY009749

Phytochemical name: Heptadecanal

Synonymous chemical names:
heptadecanal, n-heptadecanal

External chemical identifiers:
CID:71552, ChEBI:138631, ZINC:ZINC000059856105, FDASRS:74T693129Y, SureChEMBL:SCHEMBL119787, MolPort-001-783-271

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC=O

InChI:
InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h17H,2-16H2,1H3

InChIKey:
PIYDVAYKYBWPPY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC=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: 0.77

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Chemical structure download