Summary

IMPPAT Phytochemical identifier: IMPHY013841

Phytochemical name: 1-Triacontene

Synonymous chemical names:
1-triacontene, triacont-1-ene

External chemical identifiers:
CID:87639, ZINC:ZINC000100069872, FDASRS:Q9JA45UU2R, SureChEMBL:SCHEMBL180962

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C

InChI:
InChI=1S/C30H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-30H2,2H3

InChIKey:
WMZHDICSCDKPFS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=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: 0.339

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Chemical structure download