Bacilysin (CED0008270)

Record Information

Version

1.0

Creation Date

2026-03-31 21:01:37 UTC

Update Date

2026-05-20 19:29:17 UTC

Accession Number

CHEM057946

Identification

Common Name

Bacilysin

Class

Small Molecule

Description

Bacilysin is an organic compound with the formula C12H18N2O5 and an average molecular weight of 270.29 g/mol. Bacilysin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It is found in or released from one recorded source, which includes antibiotics used in healthcare, pharmaceuticals, and veterinary products. Recorded routes of exposure for this compound include inhalation and oral administration.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₁₈N₂O₅

Average Molecular Mass

270.285 g/mol

Monoisotopic Mass

270.122 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C[C@H](N)C(=O)N[C@@H](C[C@H]1CCC(=O)[C@@H]2O[C@H]12)C(O)=O

InChI Identifier

InChI=1S/C12H18N2O5/c1-5(13)11(16)14-7(12(17)18)4-6-2-3-8(15)10-9(6)19-10/h5-7,9-10H,2-4,13H2,1H3,(H,14,16)(H,17,18)/t5-,6+,7-,9+,10-/m0/s1

InChI Key

XFOUAXMJRHNTOP-ZABDLSDTSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
N-acyl-l-alpha-amino acid
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alanine or derivatives
Alpha-amino acid or derivatives
Carbocyclic fatty acid
Oxepane
Fatty acyl
Amino acid or derivatives
Amino acid
Carboxamide group
Ketone
Secondary carboxylic acid amide
Oxacycle
Carboxylic acid
Dialkyl ether
Oxirane
Ether
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Amine
Organic oxygen compound
Organic nitrogen compound
Organic oxide
Hydrocarbon derivative
Primary aliphatic amine
Carbonyl group
Primary amine
Organooxygen compound
Organonitrogen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

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
2483.0	Log mg/kg	[1400:4400]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
306	Antibiotics	Healthcare, pharmaceuticals & veterinary products	Not Available

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	Cytosol aminopeptidase	P00727	Bos taurus	Predicted (SEA)	42.5835
Click to view 3D structure	Solute carrier family 15 member 2	Q16348	Humans	Predicted (SEA)	23.4326
Click to view 3D structure	Neprilysin	Q61391	Mus musculus	Predicted (SEA)	75.5916
Click to view 3D structure	Aminopeptidase N	P15145	Sus scrofa	Predicted (SEA)	120.666
Click to view 3D structure	Neprilysin	P08473	Humans	Predicted (SEA)	191.82
Click to view 3D structure	Cytosol aminopeptidase	P28838	Humans	Predicted (SEA)	119.187
Click to view 3D structure	Squalene synthetase	Q6IE76	Bos taurus	Predicted (SEA)	59.0876
Click to view 3D structure	Angiotensin-converting enzyme	P12821	Humans	Predicted (SEA)	282.982
Click to view 3D structure	Angiotensin-converting enzyme 2	Q9BYF1	Humans	Predicted (SEA)	193.066
Click to view 3D structure	Angiotensin-converting enzyme	P12822	Oryctolagus cuniculus	Predicted (SEA)	181.389
Click to view 3D structure	Glutathionylspermidine synthase	P90518	Crithidia fasciculata	Predicted (SEA)	45.1525
Click to view 3D structure	Aminopeptidase N	P15144	Humans	Predicted (SEA)	271.149
Click to view 3D structure	Neprilysin	P08049	Oryctolagus cuniculus	Predicted (SEA)	245.614
Click to view 3D structure	Solute carrier family 15 member 1	P46059	Humans	Predicted (SEA)	116.774
Click to view 3D structure	Calpain-1 catalytic subunit	P07384	Humans	Predicted (SEA)	225.218
Click to view 3D structure	Proenkephalin-B	P01213	Humans	Predicted (SEA)	177.496
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	1939.77
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	1268.63
Click to view 3D structure	Delta-type opioid receptor	P32300	Mus musculus	Predicted (SEA)	517.697
Click to view 3D structure	Dihydroxyacetone phosphate acyltransferase	O15228	Humans	Predicted (SEA)	27.9479
Click to view 3D structure	Endothelin-converting enzyme 1	P42892	Humans	Predicted (SEA)	218.134
Click to view 3D structure	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	733.262
Click to view 3D structure	Angiotensin-converting enzyme	P47820	Rattus norvegicus	Predicted (SEA)	264.142
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	1463.57
Click to view 3D structure	Histone deacetylase 3	O15379	Humans	Predicted (SEA)	1334.65