Summary

IMPPAT Phytochemical identifier: IMPHY015187

Phytochemical name: 1-Heptene

Synonymous chemical names:
1-heptene

External chemical identifiers:
CID:11610, ZINC:ZINC000001699515, FDASRS:O748KJ11V7, SureChEMBL:SCHEMBL22178, MolPort-001-756-619

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Chemical structure information

SMILES:
CCCCCC=C

InChI:
InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3

InChIKey:
ZGEGCLOFRBLKSE-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=C

Functional groups:
C=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Unsaturated aliphatic hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.3

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Chemical structure download