Summary

IMPPAT Phytochemical identifier: IMPHY003689

Phytochemical name: cis-3-Hexenal

Synonymous chemical names:
(z)-3-hexenal, (z)-3hexenal, (z)-hex-3-enal, beta-gamma-hexenal, cis-3-hexenal

External chemical identifiers:
CID:643941, ChEBI:23292, ZINC:ZINC000012153803, FDASRS:6V54TKA96C, SureChEMBL:SCHEMBL541393

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Chemical structure information

SMILES:
CC/C=CCC=O

InChI:
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-

InChIKey:
GXANMBISFKBPEX-ARJAWSKDSA-N

DeepSMILES:
CC/C=CCC=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: 2.598

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Chemical structure download