Summary

IMPPAT Phytochemical identifier: IMPHY016100

Phytochemical name: (Z)-13-Octadecenal

Synonymous chemical names:
(z)-13-octadecenal, 13-octadecenal, (z)

External chemical identifiers:
CID:5364497, ZINC:ZINC000033840740, FDASRS:FJA253248W, SureChEMBL:SCHEMBL811956

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Chemical structure information

SMILES:
O=CCCCCCCCCCCC/C=CCCCC

InChI:
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,18H,2-4,7-17H2,1H3/b6-5-

InChIKey:
QIRGIHPYVVKWTO-WAYWQWQTSA-N

DeepSMILES:
O=CCCCCCCCCCCC/C=CCCCC

Functional groups:
C/C=CC, 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: 1.119

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Chemical structure download