Summary

IMPPAT Phytochemical identifier: IMPHY016490

Phytochemical name: 9-Heptacosene

Synonymous chemical names:
9-heptacosene

External chemical identifiers:
CID:6430701, ZINC:ZINC000062233917, SureChEMBL:SCHEMBL5855426

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC/C=C/CCCCCCCC

InChI:
InChI=1S/C27H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-27H2,1-2H3/b19-17+

InChIKey:
WWHBGRQNRIORRZ-HTXNQAPBSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC/C=C/CCCCCCCC

Functional groups:
C/C=C/C

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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: 0.478

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Chemical structure download