Summary

IMPPAT Phytochemical identifier: IMPHY006379

Phytochemical name: Triacetate

Synonymous chemical names:
triacetate

External chemical identifiers:
CID:5459844, ChEBI:16558, ZINC:ZINC000100066217, SureChEMBL:SCHEMBL28887

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Chemical structure information

SMILES:
CC(=O)CC(=O)CC(=O)O

InChI:
InChI=1S/C6H8O4/c1-4(7)2-5(8)3-6(9)10/h2-3H2,1H3,(H,9,10)

InChIKey:
ILJSQTXMGCGYMG-UHFFFAOYSA-N

DeepSMILES:
CC=O)CC=O)CC=O)O

Functional groups:
CC(=O)O, CC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Keto acids and derivatives

ClassyFire Subclass: Medium-chain keto acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Oxo fatty acids

NP-Likeness score: 1.252

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Chemical structure download