Summary

IMPPAT Phytochemical identifier: IMPHY016811

Phytochemical name: Glutaronitrile

Synonymous chemical names:
pentanedinitrile

External chemical identifiers:
CID:10994, ZINC:ZINC000001672862, FDASRS:01ZI68F3CQ, SureChEMBL:SCHEMBL60384, MolPort-001-779-793

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Chemical structure information

SMILES:
N#CCCCC#N

InChI:
InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2

InChIKey:
ZTOMUSMDRMJOTH-UHFFFAOYSA-N

DeepSMILES:
N#CCCCC#N

Functional groups:
CC#N

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Organic cyanides

NP Classifier Biosynthetic pathway: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: -0.228

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Chemical structure download