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Liposidomycin A

CAT: 0013-GTR19255725-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255725-02Size:50 mg
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Description
Liposidomycin A exhibits antibacterial properties, though its activity is relatively weak. It demonstrates significant inhibitory effects on mycobacteria, with a minimum inhibitory concentration (MIC) of 0.16 μg/mL. Additionally, Liposidomycin A inhibits glycopeptide biosynthesis, effectively suppressing Escherichia coli glycopeptide biosynthesis with an IC50 of 0.03 μg/mL.
CAS Number
99751-55-0
Field of Research
Infectious Disease & Virology
Smiles
C (O[C@H]1[C@H] (OS (=O) (=O) O) [C@H] (O) [C@@H] (CN) O1) ([C@H]2O[C@H] ([C@H] (O) [C@@H]2O) N3C (=O) NC (=O) C=C3) C4N (C) CC (OC (CC (OC (CC (CC (O) =O) C) =O) CCCC=CCC=CCCCCC) =O) C (C (O) =O) N (C) C4=O
Molecular Formula
C44H67N5O21S
Molecular Weight
1034.09
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[[(2S,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-sulfooxyoxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-[3-(4-carboxy-3-methylbutanoyl)oxyhexadeca-7,10-dienoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
CAS Number99751-55-0
PubChem CID177822914
IUPAC Name2-[[(2S,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-sulfooxyoxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-[3-(4-carboxy-3-methylbutanoyl)oxyhexadeca-7,10-dienoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
Molecular FormulaC44H67N5O21S
Molecular Weight1034.1
XLogP-4.8
Topological Polar Surface Area387
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count23
Rotatable Bond Count29
Heavy Atom Count71
Formal Charge0
Complexity2070
SMILES
CCCCCC=CCC=CCCCC(CC(=O)OC1CN(C(C(=O)N(C1C(=O)O)C)C([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)CN)O)OS(=O)(=O)O)C)OC(=O)CC(C)CC(=O)O
InChI
InChI=1S/C44H67N5O21S/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(65-30(53)20-24(2)19-29(51)52)21-31(54)66-27-23-47(3)33(40(58)48(4)32(27)42(59)60)37(69-43-39(70-71(62,63)64)34(55)26(22-45)67-43)38-35(56)36(57)41(68-38)49-18-17-28(50)46-44(49)61/h9-10,12-13,17-18,24-27,32-39,41,43,55-57H,5-8,11,14-16,19-23,45H2,1-4H3,(H,51,52)(H,59,60)(H,46,50,61)(H,62,63,64)/t24?,25?,26-,27?,32?,33?,34-,35+,36-,37?,38+,39-,41-,43+/m1/s1
InChIKey
LJAKBFLSOINZOO-WEUUJPHISA-N
Chemical Structure
2D Structure
2D structure of 2-[[(2S,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-sulfooxyoxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-[3-(4-carboxy-3-methylbutanoyl)oxyhexadeca-7,10-dienoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
CAS: 99751-55-0
CID: 177822914
Formula: C44H67N5O21S
MW: 1034.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1034.1
XLogP3-4.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count23
Rotatable Bond Count29
Exact Mass1033.40492534
Monoisotopic Mass1033.40492534
Topological Polar Surface Area387 Ų
Heavy Atom Count71
Formal Charge0
Complexity2070
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN10563-01Liposidomycin A
TN10153-01Liposidomycin B
TN10096-01Liposidomycin C

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