Summary

IMPPAT Phytochemical identifier: IMPHY016859

Phytochemical name: Tetracontane-1,40-diol

Synonymous chemical names:
tetracontane-1,40-diol

External chemical identifiers:
CID:557624, SureChEMBL:SCHEMBL5080094

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Chemical structure information

SMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

InChI:
InChI=1S/C40H82O2/c41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42/h41-42H,1-40H2

InChIKey:
CNADWWDQQLFROG-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

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: 0.148

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Chemical structure download