Summary

IMPPAT Phytochemical identifier: IMPHY012763

Phytochemical name: (E)-6-Decenal

Synonymous chemical names:
(e)-6-decenal

External chemical identifiers:
CID:5283348, ZINC:ZINC000033820568, FDASRS:ZR7BC83500, SureChEMBL:SCHEMBL10819060

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Chemical structure information

SMILES:
CCC/C=C/CCCCC=O

InChI:
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h4-5,10H,2-3,6-9H2,1H3/b5-4+

InChIKey:
BHAHVSKDYRPNIR-SNAWJCMRSA-N

DeepSMILES:
CCC/C=C/CCCCC=O

Functional groups:
C/C=C/C, 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: 1.758

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Chemical structure download