Summary

IMPPAT Phytochemical identifier: IMPHY006401

Phytochemical name: Triacontane-1,30-diol

Synonymous chemical names:
1,30-triacontanediol

External chemical identifiers:
CID:543982, ZINC:ZINC000014769177, SureChEMBL:SCHEMBL2355465

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Chemical structure information

SMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

InChI:
InChI=1S/C30H62O2/c31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32/h31-32H,1-30H2

InChIKey:
ZOIJRPSLRHKPEH-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

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: 0.194

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Chemical structure download