Summary

IMPPAT Phytochemical identifier: IMPHY016398

Phytochemical name: 3-Tetradecynoic acid

Synonymous chemical names:
3-tetradecynoic acid

External chemical identifiers:
CID:534441

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Chemical structure information

SMILES:
CCCCCCCCCCC#CCC(=O)O

InChI:
InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-10,13H2,1H3,(H,15,16)

InChIKey:
NXRVELJJJOMFAM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC#CCC=O)O

Functional groups:
CC#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 Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.614

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Chemical structure download