| Common Name |
Maduramicin
| Description |
Anibiotic approved as a feed additive for broiler chickens in the UKMaduramicin belongs to the family of Mixed Pentose/Hexoses Oligosaccharides. These are oligosaccharides made up of pentose and hexose saccharide units.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29453 (Maduramicin)
| Synonyms |
| Value |
Source |
Antibiotic CL 273703HMDB
Antibiotic LL-C 23024a-aHMDB
CL 273703HMDB
CygroHMDB
LL-C 23024a-aHMDB
Maduramicin aHMDB
Maduramicin, inn, usanHMDB
X 14868aHMDB
| Chemical Formlia |
C47H80O17
| Average Molecliar Weight |
917.1279
| Monoisotopic Molecliar Weight |
916.539551134
| IUPAC Name |
2-(6-{1-[2-(5-{3-[(3,4-dimethoxy-6-methyloxan-2-yl)oxy]-5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)oxolan-2-yl}-5-methyloxolan-2-yl)-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl}-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl)acetic acid
| Traditional Name |
(6-{1-[2-(5-{3-[(3,4-dimethoxy-6-methyloxan-2-yl)oxy]-5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)oxolan-2-yl}-5-methyloxolan-2-yl)-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl}-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl)acetic acid
| CAS Registry Number |
79356-08-4
| SMILES |
COC1CC(C)OC(OC2CC(OC2C2(C)CCC(O2)C2(C)CCC3(CC(O)C(C)C(O3)C(C)C3OC(O)(CC(O)=O)C(C)C(OC)C3OC)O2)C2OC(C)(O)C(C)CC2C)C1OC
| InChI Identifier |
InChI=1S/C47H80O17/c1-23-18-24(2)45(9,51)61-35(23)31-20-32(59-42-39(55-12)30(53-10)19-25(3)57-42)41(58-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)26(4)36(62-46)27(5)37-40(56-13)38(54-11)28(6)47(52,63-37)22-34(49)50/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50)
| InChI Key |
VVYPHUVLJAPZHM-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Organic oxygen compounds
| Sub Class |
Organooxygen compounds
| Direct Parent |
C-glycosyl compounds
| Alternative Parents |
Ketals
Oxanes
Monosaccharides
Tetrahydrofurans
Secondary alcohols
Hemiacetals
Oxacyclic compounds
Monocarboxylic acids and derivatives
Dialkyl ethers
Carboxylic acids
Organic oxides
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
C-glycosyl compound
Ketal
Monosaccharide
Oxane
Tetrahydrofuran
Hemiacetal
Secondary alcohol
Acetal
Carboxylic acid derivative
Carboxylic acid
Dialkyl ether
Ether
Organoheterocyclic compound
Oxacycle
Monocarboxylic acid or derivatives
Carbonyl group
Hydrocarbon derivative
Alcohol
Organic oxide
Aliphatic heteropolycyclic compound
| Molecliar Framework |
Aliphatic heteropolycyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point193 – 194 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.017 mg/mLALOGPS
logP2.4ALOGPS
logP4.56ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)4.01ChemAxon
pKa (Strongest Basic)-2.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count17ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area208.75 Å2ChemAxon
Rotatable Bond Count13ChemAxon
Refractivity227.7 m3·mol-1ChemAxon
Polarizability99.21 Å3ChemAxon
Number of Rings7ChemAxon
Bioavailability0ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000573
| KNApSAcK ID |
C00018494
| Chemspider ID |
Not Available
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29453
| Metagene Link |
HMDB29453
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: CFMTI
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 8831113
