Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000990

Phytochemical name: cis-4-Decenal

Synonymous chemical names:
cis-4-decenal, (z)-4-decenal

External chemical identifiers:
CID:CID_5362620, ChEBI:CHEBI:90056, ZINC:ZINC000004538403, FDASRS:5R675PGU7K, SureChEMBL:SCHEMBL1255463

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Chemical structure information

SMILES:
CCCCC/C=C\CCC=O

InChI:
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,10H,2-5,8-9H2,1H3/b7-6-

InChIKey:
CWRKZMLUDFBPAO-SREVYHEPSA-N

DeepSMILES:
CCCCC/C=C\CCC=O

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

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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: 1.825

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Chemical structure download