(z)-4-(3-hydroxypropoxy)-4-oxobut-2-enoic acid (CED0311547)

Record Information

Version

1.0

Creation Date

2026-09-01 10:20:39 UTC

Update Date

2026-09-01 10:20:39 UTC

Accession Number

CHEM357320

Identification

Common Name

(z)-4-(3-hydroxypropoxy)-4-oxobut-2-enoic acid

Class

Small Molecule

Description

(z)-4-(3-hydroxypropoxy)-4-oxobut-2-enoic acid is a chemical compound with the formula C7H10O5. It has an average molecular weight of 174.15 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₀O₅

Average Molecular Mass

Not Available

Monoisotopic Mass

174.053 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C(CO)COC(=O)C=CC(=O)O

InChI Identifier

InChI=1S/C7H10O5/c8-4-1-5-12-7(11)3-2-6(9)10/h2-3,8H,1,4-5H2,(H,9,10)/b3-2-

InChI Key

CTEFDDZVRLFMNT-IHWYPQMZSA-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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
5201.0	Log mg/kg	[2900:9200]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference

Pathways

0 pathways

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	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	159.98
Click to view 3D structure	Histamine H3 receptor	Q9JI35	Cavia porcellus	Predicted (SEA)	163.95
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	1100.55
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	703.29
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	357.094
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	520.811
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	374.533
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	510.847
Click to view 3D structure	Aldo-keto reductase family 1 member B10	O60218	Humans	Predicted (SEA)	139.895
Click to view 3D structure	17-beta-hydroxysteroid-dehydrogenase	O93874	Cochliobolus lunatus	Predicted (SEA)	30.439
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	1551.15
Click to view 3D structure	Gag-Pol polyprotein	Q7ZJM1	Human immunodeficiency virus 1	Predicted (SEA)	312.954
Click to view 3D structure	Pantothenate kinase, putative	Q8ILP4	Plasmodium falciparum (isolate 3D7)	Predicted (SEA)	101.671
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	378.425
Click to view 3D structure	Histamine H3 receptor	Q9Y5N1	Humans	Predicted (SEA)	2463.38
Click to view 3D structure	Histamine H2 receptor	P47747	Cavia porcellus	Predicted (SEA)	325.643
Click to view 3D structure	Histamine H3 receptor	Q9QYN8	Rattus norvegicus	Predicted (SEA)	977.319
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	2541.93
Click to view 3D structure	Isoleucine--tRNA ligase	P56690	Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)	Predicted (SEA)	2.02408
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	2963.1
Click to view 3D structure	Aldo-keto reductase family 1 member C3	P42330	Humans	Predicted (SEA)	1689.95
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	4466.6
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	2812.46
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	5800.93
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	5704.48