Summary

IMPPAT Phytochemical identifier: IMPHY012773

Phytochemical name: 9-Decynoic acid

Synonymous chemical names:
9-decynoic acid

External chemical identifiers:
CID:5312603, ZINC:ZINC000013434148, SureChEMBL:SCHEMBL740489, MolPort-029-944-673

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Chemical structure information

SMILES:
C#CCCCCCCCC(=O)O

InChI:
InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h1H,3-9H2,(H,11,12)

InChIKey:
KHOZXYSECXUORA-UHFFFAOYSA-N

DeepSMILES:
C#CCCCCCCCC=O)O

Functional groups:
C#CC, CC(=O)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 acids and conjugates

NP-Likeness score: 0.59

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Chemical structure download