Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID016465

Phytochemical name: Tritriacontan-9-one

Synonymous chemical names:
Tritriacontan-9-one

External chemical identifiers:
CID:CID_129688132, ZINC:ZINC000085974445

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCC

InChI:
InChI=1S/C33H66O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-33(34)31-29-27-10-8-6-4-2/h3-32H2,1-2H3

InChIKey:
DAKZJGCECJROBX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC=O)CCCCCCCC

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: 0.24

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Chemical structure download