Summary

IMPPAT Phytochemical identifier: IMPHY001896

Phytochemical name: Heptacosane

Synonymous chemical names:
heptacosane, heptacosane*, n-heptacosane

External chemical identifiers:
CID:11636, ChEBI:32941, ZINC:ZINC000006920430, FDASRS:VP371W2GJS, SureChEMBL:SCHEMBL198910, MolPort-003-935-594

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C27H56/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/h3-27H2,1-2H3

InChIKey:
BJQWYEJQWHSSCJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC

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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: 0.09

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Chemical structure download