PA-46101 B
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| Category | Antibiotics |
| Catalog number | BBF-03328 |
| CAS | 130812-34-9 |
| Molecular Weight | 1171.3 |
| Molecular Formula | C61H86O22 |
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Description
PA-46101 B is a macrolide antibiotic isolated from the culture broth of Streptomyces sp. PA-46101. It is active in vitro against anaerobic Gram-positive and Gram-negative bacteria and also against a limited number of aerobic Gram-positive bacteria.
Specification
| Synonyms | PA 46101 B |
| IUPAC Name | 3-ethyl-26-hydroxy-16-(4-hydroxy-3,5-dimethoxy-4,6-dimethyloxan-2-yl)oxy-15-[3-hydroxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-5-(2-methoxy-6-methylbenzoyl)oxy-6-methyloxan-2-yl]oxy-6,12,20-trimethyl-21,24-dioxo-22,25-dioxapentacyclo[21.2.1.01,6.011,20.014,19]hexacosa-4,12,23(26)-triene-4-carboxylic acid |
| Canonical SMILES | CCC1CC23C(=C(C(=O)O2)OC(=O)C4(C5CCC(C(C5C=C(C4CCCCC3(C=C1C(=O)O)C)C)OC6C(C(C(C(O6)C)OC(=O)C7=C(C=CC=C7OC)C)OC8CC(C(C(O8)C)OC)O)O)OC9C(C(C(C(O9)C)OC)(C)O)OC)C)O |
| InChI | InChI=1S/C61H86O22/c1-14-33-26-61-49(64)48(54(68)83-61)82-57(69)59(8)36(19-15-16-23-58(61,7)27-35(33)52(65)66)29(3)24-34-37(59)21-22-40(78-56-51(74-13)60(9,70)50(73-12)32(6)77-56)46(34)81-55-43(63)47(79-41-25-38(62)44(72-11)30(4)75-41)45(31(5)76-55)80-53(67)42-28(2)18-17-20-39(42)71-10/h17-18,20,24,27,30-34,36-38,40-41,43-47,50-51,55-56,62-64,70H,14-16,19,21-23,25-26H2,1-13H3,(H,65,66) |
| InChI Key | VWAVLHBQMIPOES-UHFFFAOYSA-N |
Properties
| Antibiotic Activity Spectrum | Gram-positive bacteria; Gram-negative bacteria |
Reference Reading
1. Isolation, characterization and structures of PA-46101 A and B
M Matsumoto, Y Kawamura, Y Yoshimura, Y Terui, H Nakai, T Yoshida, J Shoji J Antibiot (Tokyo). 1990 Jul;43(7):739-47. doi: 10.7164/antibiotics.43.739.
New antibiotics, PA-46101 A and B, were isolated from the culture broth of a Streptomycete. The molecular formulae of A and B were determined to be C52H70O18 and C61H86O22, respectively, by elemental analyses, NMR and mass spectrometry. Their structures were elucidated by X-ray crystallography and NMR spectroscopy. These antibiotics are active in vitro against anaerobic Gram-positive and Gram-negative bacteria and also against a limited number of aerobic Gram-positive bacteria.
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
