Summary

IMPPAT Phytochemical identifier: IMPHY003483

Phytochemical name: 2-Methylpentanal

Synonymous chemical names:
2-methylpentanal

External chemical identifiers:
CID:31245, ChEMBL:CHEMBL2270061, ChEBI:89986, FDASRS:64L45T2504, SureChEMBL:SCHEMBL43746, MolPort-001-783-401

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Chemical structure information

SMILES:
CC(C=O)CCC

InChI:
InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3

InChIKey:
FTZILAQGHINQQR-UHFFFAOYSA-N

DeepSMILES:
CCC=O))CCC

Functional groups:
CC=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organic oxides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 2.058

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Chemical structure download