Summary

IMPPAT Phytochemical identifier: IMPHY012236

Phytochemical name: 1-Undecyne

Synonymous chemical names:
1-undecyne

External chemical identifiers:
CID:75249, ChEBI:87545, ZINC:ZINC000001562201, FDASRS:Y07U3Q24US, SureChEMBL:SCHEMBL594216, MolPort-004-947-327

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Chemical structure information

SMILES:
CCCCCCCCCC#C

InChI:
InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h1H,4-11H2,2H3

InChIKey:
YVSFLVNWJIEJRV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC#C

Functional groups:
C#CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Acetylides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.354

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Chemical structure download