Summary

IMPPAT Phytochemical identifier: IMPHY016200

Phytochemical name: 10,12-Pentacosadiynoic acid

Synonymous chemical names:
10,12-pentacosadiynoic acid, 10-12-pentacosadiynoic acid

External chemical identifiers:
CID:538433, ZINC:ZINC000100022035, SureChEMBL:SCHEMBL93632, MolPort-003-938-981

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Chemical structure information

SMILES:
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O

InChI:
InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-12,17-24H2,1H3,(H,26,27)

InChIKey:
ZPUDRBWHCWYMQS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCC#CC#CCCCCCCCCC=O)O

Functional groups:
CC#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: 0.677

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Chemical structure download