Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015049

Phytochemical name: 1-Eicosyne

Synonymous chemical names:
Eicosyne, 1-, 1-eicosyne

External chemical identifiers:
CID:CID_13001, ChEMBL:CHEMBL1329983, SureChEMBL:SCHEMBL1470569

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCC#C

InChI:
InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h1H,4-20H2,2H3

InChIKey:
BUSHLWVWPAEVMX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCC#C

Functional groups:
C#CC

---

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: 0.195

---

Chemical structure download