Summary

IMPPAT Phytochemical identifier: IMPHY004356

Phytochemical name: 2-Tridecenal

Synonymous chemical names:
2-tridecenal, e-2-tridecenal

External chemical identifiers:
CID:5283363, ChEMBL:CHEMBL1995395, ZINC:ZINC000001613339, FDASRS:C950P0MYML, SureChEMBL:SCHEMBL631314

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Chemical structure information

SMILES:
CCCCCCCCCC/C=C/C=O

InChI:
InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3/b12-11+

InChIKey:
VMUNAKQXJLHODT-VAWYXSNFSA-N

DeepSMILES:
CCCCCCCCCC/C=C/C=O

Functional groups:
C/C=C/C=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty aldehydes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.59

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Chemical structure download