Summary

IMPPAT Phytochemical identifier: IMPHY013515

Phytochemical name: Tritriacontane-16,18-dione

Synonymous chemical names:
n-tritriacontan-16,18-dione

External chemical identifiers:
CID:154874, ChEBI:9752, ZINC:ZINC000008221080, FDASRS:4QUF6P7Y9C, SureChEMBL:SCHEMBL1250561

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC

InChI:
InChI=1S/C33H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)31-33(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3

InChIKey:
BYKYTXUAKJDVPV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)CC=O)CCCCCCCCCCCCCCC

Functional groups:
CC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 0.397

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Chemical structure download