Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001795

Phytochemical name: E-15-Heptadecenal

Synonymous chemical names:
e-15-heptadecenal, (e)-15-heptadecenal, E-15-Heptadecenal

External chemical identifiers:
CID:CID_5363097

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Chemical structure information

SMILES:
O=CCCCCCCCCCCCCC/C=C/C

InChI:
InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-3,17H,4-16H2,1H3/b3-2+

InChIKey:
TWWSXAKLFHYWQT-NSCUHMNNSA-N

DeepSMILES:
O=CCCCCCCCCCCCCC/C=C/C

Functional groups:
CC=O, C/C=C/C

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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: 1.208

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Chemical structure download