Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000087

Phytochemical name: 1-Triacontanol

Synonymous chemical names:
Triacontan-1-ol, Myricyl alcohol, tria-contanols, n-triacontanol, triacontyl alcohol, triacontan-1-ol, myricyl alcohol, 1-triacontanol, triacontanol, myricyl-alcohol, Triacontanol, 1-tricontanol, triacontanol-1, tri-acontanol, melissyl alcohol, prosopol

External chemical identifiers:
CID:CID_68972, ChEMBL:CHEMBL1079147, ChEBI:CHEBI:28409, ZINC:ZINC000006920386, FDASRS:767RD0E90B, SureChEMBL:SCHEMBL16858, MolPort-003-939-655

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

InChI:
InChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3

InChIKey:
REZQBEBOWJAQKS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.242

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Chemical structure download