Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000497

Phytochemical name: 1-Hexadecene

Synonymous chemical names:
hexadec-1-ene, 1-hexadecene, 1-Hexadecene, cetene

External chemical identifiers:
CID:CID_12395, ChEMBL:CHEMBL3182381, ChEBI:CHEBI:77507, ZINC:ZINC000059511024, FDASRS:97T015M2UX, SureChEMBL:SCHEMBL24443, MolPort-001-787-067

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC=C

InChI:
InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3

InChIKey:
GQEZCXVZFLOKMC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC=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: 0.635

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Chemical structure download