Summary

IMPPAT Phytochemical identifier: IMPHY009711

Phytochemical name: cis-4-Heptenal

Synonymous chemical names:
(z)-4-heptenal

External chemical identifiers:
CID:5362814, ZINC:ZINC000006661796, FDASRS:5BJ99WWP64, SureChEMBL:SCHEMBL120184

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Chemical structure information

SMILES:
CC/C=CCCC=O

InChI:
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-

InChIKey:
VVGOCOMZRGWHPI-ARJAWSKDSA-N

DeepSMILES:
CC/C=CCCC=O

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 2.372

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Chemical structure download