5-hydroxypentanenitrile (CED0052558)

Record Information

Version

1.0

Creation Date

2026-08-23 02:50:34 UTC

Update Date

2026-08-23 02:50:34 UTC

SynCED ID

CED0052558

Secondary Accession Numbers

CHEM226139

Identification

Common Name

5-hydroxypentanenitrile

Class

Small Molecule

Description

5-hydroxypentanenitrile (C5H9NO) is an organic compound with an average molecular weight of 99.13 g/mol. 5-hydroxypentanenitrile belongs to the organic cyanides, a subclass of organonitrogen compounds within the organic compounds. This substance is recorded as being found in or released from electrical and electronic equipment, specifically loudspeakers.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅H₉NO

Average Molecular Mass

99.130 g/mol

Monoisotopic Mass

99.068 g/mol

CAS Registry Number

2427-16-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h7H,1-3,5H2

InChI Key

ISCJLIJIOFOWTR-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
847.0 Log mg/kg [480:1500]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000526	Loudspeakers?Loudspeakers, as components in audio systems, can be sources of synthetic chemical contamination primarily due to the materials used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Cathepsin K	P43236	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.163 Low confidence Statistical Significance 0.6728 Supporting Reference Compounds 17 E-value 5237.38
Click to view 3D structure	Mu-type opioid receptor	P42866	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.216 Low confidence Statistical Significance 0.852 Supporting Reference Compounds 107 E-value 6632.75
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.216 Low confidence Statistical Significance 0.9582 Supporting Reference Compounds 207 E-value 7459.43
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.184 Low confidence Statistical Significance 0.0165 Supporting Reference Compounds 21 E-value 128.685
Click to view 3D structure	Cruzipain	P25779	Trypanosoma cruzi	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.159 Low confidence Statistical Significance 0.9376 Supporting Reference Compounds 65 E-value 7298.91
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.235 Low confidence Statistical Significance 0.9908 Supporting Reference Compounds 407 E-value 7713.38
Click to view 3D structure	Tyrosine-protein kinase ABL1	P00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.182 Low confidence Statistical Significance 0.9952 Supporting Reference Compounds 927 E-value 7747.94
Click to view 3D structure	Folliculin-interacting protein 1	Q8TF40	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.17 Low confidence Statistical Significance 0.0125 Supporting Reference Compounds 1 E-value 97.2337
Click to view 3D structure	Cytochrome P450 4A4	P10611	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.0038 Supporting Reference Compounds 1 E-value 29.6606
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.0038 Supporting Reference Compounds 1 E-value 29.5049
Click to view 3D structure	Palmitoyltransferase ZDHHC20	Q5W0Z9	Humans	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.179 Low confidence Statistical Significance 0.0101 Supporting Reference Compounds 3 E-value 78.7056
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.35 Statistical Significance 0.9333 Supporting Reference Compounds 315 E-value 7265.43
Click to view 3D structure	Kappa-type opioid receptor	P33534	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.216 Low confidence Statistical Significance 0.54 Supporting Reference Compounds 61 E-value 4203.94
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.164 Low confidence Statistical Significance 0.9211 Supporting Reference Compounds 167 E-value 7170.69
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.154 Low confidence Statistical Significance 0.0054 Supporting Reference Compounds 2 E-value 41.8829
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.164 Low confidence Statistical Significance 0.921 Supporting Reference Compounds 173 E-value 7169.6
Click to view 3D structure	Cathepsin S	P25774	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.163 Low confidence Statistical Significance 0.9401 Supporting Reference Compounds 141 E-value 7318.84
Click to view 3D structure	Cathepsin K	P43235	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.163 Low confidence Statistical Significance 0.9259 Supporting Reference Compounds 129 E-value 7207.83
Click to view 3D structure	Papain	P00784	Carica papaya	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.163 Low confidence Statistical Significance 0.5464 Supporting Reference Compounds 35 E-value 4253.99
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.206 Low confidence Statistical Significance 0.9701 Supporting Reference Compounds 201 E-value 7552.0
Click to view 3D structure	Procathepsin L	P25975	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.149 Low confidence Statistical Significance 0.3449 Supporting Reference Compounds 12 E-value 2684.71
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.182 Low confidence Statistical Significance 0.9956 Supporting Reference Compounds 1660 E-value 7750.51
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.189 Low confidence Statistical Significance 0.9976 Supporting Reference Compounds 1130 E-value 7766.16
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.189 Low confidence Statistical Significance 0.9986 Supporting Reference Compounds 1538 E-value 7774.18
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.182 Low confidence Statistical Significance 0.9952 Supporting Reference Compounds 1158 E-value 7747.55