Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000375

Phytochemical name: Pentadecane

Synonymous chemical names:
pentadecaneb, n-Pentadecane, n-pentadecane, pentadecane, pentadecan, Pentadecane

External chemical identifiers:
CID:CID_12391, ChEMBL:CHEMBL1234557, ChEBI:CHEBI:28897, ZINC:ZINC000001531089, FDASRS:16H6K2S8M2, SureChEMBL:SCHEMBL39231, MolPort-003-933-014

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC

InChI:
InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3

InChIKey:
YCOZIPAWZNQLMR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC

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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: 0.163

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Chemical structure download