Summary

IMPPAT Phytochemical identifier: IMPHY016494

Phytochemical name: Heptadecane, 9-hexyl-

Synonymous chemical names:
9-n-hexyl-heptadecane

External chemical identifiers:
CID:296566, ZINC:ZINC000104145409, SureChEMBL:SCHEMBL18982795

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Chemical structure information

SMILES:
CCCCCCCCC(CCCCCCCC)CCCCCC

InChI:
InChI=1S/C23H48/c1-4-7-10-13-15-18-21-23(20-17-12-9-6-3)22-19-16-14-11-8-5-2/h23H,4-22H2,1-3H3

InChIKey:
ZUSMXUXZJCOSPV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC))))))))CCCCCC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.443

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Chemical structure download