Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005749

Phytochemical name: 2-Heptenal, (Z)-

Synonymous chemical names:
2-heptenal, (z), (z)-2-heptenal, (z)-2-heptenai

External chemical identifiers:
CID:CID_5362616, ZINC:ZINC000013544962, SureChEMBL:SCHEMBL14369435

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Chemical structure information

SMILES:
CCCC/C=C\C=O

InChI:
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5-

InChIKey:
NDFKTBCGKNOHPJ-WAYWQWQTSA-N

DeepSMILES:
CCCC/C=C\C=O

Functional groups:
C/C=C\C=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: 2.56

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Chemical structure download