Summary

IMPPAT Phytochemical identifier: IMPHY003040

Phytochemical name: Tridecanal

Synonymous chemical names:
tridecanal

External chemical identifiers:
CID:25311, ChEMBL:CHEMBL2228568, ChEBI:89816, ZINC:ZINC000002023332, FDASRS:193923TA82, SureChEMBL:SCHEMBL38928, MolPort-001-792-109

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Chemical structure information

SMILES:
CCCCCCCCCCCCC=O

InChI:
InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3

InChIKey:
BGEHHAVMRVXCGR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCC=O

Functional groups:
CC=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: 0.99

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Chemical structure download