ChemFOnt: Showing chemical card for Tylosin (CFc000015187)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:04:15 UTC

Chemfont ID

CFc000015187

Molecule Identification

Common Name

Tylosin

Definition

Tylosin is used in treatment of cattle, swine and mycoplasmas in poultry Tylosin is a macrolide-class antibiotic used in veterinary medicine. It has a broad spectrum of activity against gram positive organisms and a limited range of gram negative organisms. It is found naturally as a fermentation product of Streptomyces fradiae

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Tylan	MeSH
Tylosin hydrochloride	MeSH
Tylosin tartrate (salt)	MeSH
Tylosine	MeSH
Tartrate, tylosin	MeSH
Tylosin tartrate	MeSH
Hydrochloride, tylosin	MeSH
Fradizine	MeSH
Corvel-tylocine	HMDB
Dehydrorelomycin	HMDB
elanco-m	HMDB
Frazidine	HMDB
norco T-2	HMDB
Parkenova	HMDB
Tylon	HMDB
Tylosin	MeSH

Chemical Formula

C₄₆H₇₇NO₁₇

Average Molecular Weight

916.1001

Monoisotopic Molecular Weight

915.519150043

IUPAC Name

2-[(11E,13E)-6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-16-ethyl-4-hydroxy-15-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

Traditional Name

CAS Registry Number

1401-69-0

SMILES

CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(=O)\C=C\C(\C)=C\C1COC1OC(C)C(O)C(OC)C1OC

InChI Identifier

InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+

InChI Key

WBPYTXDJUQJLPQ-LLMNDNAOSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Aminoglycosides

Alternative Parents

Substituents

Aminoglycoside core
Macrolide
Disaccharide
Glycosyl compound
O-glycosyl compound
Oxane
Alpha-hydrogen aldehyde
Tertiary alcohol
1,2-aminoalcohol
Amino acid or derivatives
Carboxylic acid ester
Ketone
Lactone
Cyclic ketone
Secondary alcohol
Tertiary aliphatic amine
Tertiary amine
Acetal
Organoheterocyclic compound
Ether
Monocarboxylic acid or derivatives
Dialkyl ether
Oxacycle
Carboxylic acid derivative
Organopnictogen compound
Carbonyl group
Alcohol
Organic oxide
Hydrocarbon derivative
Organonitrogen compound
Organic nitrogen compound
Amine
Aldehyde
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Source

Exogenous

Exogenous (HMDB: HMDB0034108)

Food

Food (HMDB: HMDB0034108)

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Milk and milk product

Unfermented milk

Milk (Cow) (FooDB: FOOD00618)

Endogenous

Endogenous (HMDB: HMDB0034108)

Process

Naturally occurring process

Biological process

Cellular process

Cell signaling (HMDB: HMDB0034108)

Role

Biological role

Energy source (HMDB: HMDB0034108)

Industrial application

Pharmaceutical industry

Antimicrobial agent (HMDB: HMDB0034108)

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0034108)

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.21 g/L	ALOGPS
logP	1.46	ALOGPS
logP	2.32	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	12.45	ChemAxon
pKa (Strongest Basic)	7.2	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	238.67 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	232.21 m³·mol⁻¹	ChemAxon
Polarizability	98.82 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon