Summary

IMPPAT Phytochemical identifier: IMPHY009368

Phytochemical name: Heptadecane

Synonymous chemical names:
1-heptadecane, heptadeane, heptadecane, n- heptadecane, n-heptadecane

External chemical identifiers:
CID:12398, ChEMBL:CHEMBL3185332, ChEBI:16148, ZINC:ZINC000008217397, FDASRS:H7C0J39XUM, SureChEMBL:SCHEMBL100536, MolPort-002-351-156

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3

InChIKey:
NDJKXXJCMXVBJW-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC

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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: 0.144

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Chemical structure download