Summary

IMPPAT Phytochemical identifier: IMPHY014489

Phytochemical name: Tritriacontane-6,8-diol

Synonymous chemical names:
tritriacontane-6,8-diol

External chemical identifiers:
CID:85104056

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O

InChI:
InChI=1S/C33H68O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-33(35)31-32(34)29-27-6-4-2/h32-35H,3-31H2,1-2H3

InChIKey:
KEXVEKKEEPRUMX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)))))O)))O

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: 0.474

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Chemical structure download