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144371-88-0 | Pneumocandin A0, 1-[(4R,5R)-4,5-dihydroxy-N2-(1-oxohexadecyl)-L-ornithine]-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]-
CAS No: 144371-88-0 Catalog No: AG001JF2 MDL No:
Product Description
Catalog Number:
AG001JF2
Chemical Name:
Pneumocandin A0, 1-[(4R,5R)-4,5-dihydroxy-N2-(1-oxohexadecyl)-L-ornithine]-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]-
CAS Number:
144371-88-0
IUPAC Name:
[5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-18-(hexadecanoylamino)-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate
InChI:
InChI=1S/C51H82N8O21S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-37(66)53-30-22-34(64)47(72)57-49(74)41-42(67)26(2)24-59(41)51(76)39(33(63)23-36(52)65)55-48(73)40(44(69)43(68)28-18-19-32(62)35(20-28)80-81(77,78)79)56-46(71)31-21-29(61)25-58(31)50(75)38(27(3)60)54-45(30)70/h18-20,26-27,29-31,33-34,38-44,47,60-64,67-69,72H,4-17,21-25H2,1-3H3,(H2,52,65)(H,53,66)(H,54,70)(H,55,73)(H,56,71)(H,57,74)(H,77,78,79)/t26-,27+,29+,30-,31-,33+,34+,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1
InChI Key:
KAPLTEIQCKDUAT-UYCSHIFKSA-N
Properties
Complexity:
2230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
15
Defined Bond Stereocenter Count:
0
Exact Mass:
1174.532g/mol
Formal Charge:
0
Heavy Atom Count:
81
Hydrogen Bond Acceptor Count:
21
Hydrogen Bond Donor Count:
16
Isotope Atom Count:
0
Molecular Weight:
1175.312g/mol
Monoisotopic Mass:
1174.532g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
483A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Strain selection and scale-up fermentation for FR901379 acylase production by Streptomyces sp. no. 6907. | Journal of bioscience and bioengineering 20111001 |
| Cloning and expression of the FR901379 acylase gene from Streptomyces sp. no. 6907. | The Journal of antibiotics 20110201 |
| [Drug development from natural fermentation products: establishing a manufacturing process which maximizes the potential of microorganisms]. | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20101101 |
| Screening and characterization of microorganisms with FR901379 acylase activity. | The Journal of antibiotics 20100201 |
| Agrobacterium-tumefaciens-mediated transformation of antifungal-lipopeptide-producing fungus Coleophoma empetri F-11899. | Current genetics 20091201 |
| Improvement of FR901379 production by mutant selection and medium optimization. | Journal of bioscience and bioengineering 20090501 |
| Novel echinocandin antifungals. Part 2: Optimization of the side chain of the natural product FR901379. Discovery of micafungin. | Bioorganic & medicinal chemistry letters 20080501 |
| Novel echinocandin antifungals. Part 1: novel side-chain analogs of the natural product FR901379. | Bioorganic & medicinal chemistry letters 20080215 |
| Role of micafungin in the antifungal armamentarium. | Current medicinal chemistry 20070101 |
| Therapeutic effects of water-soluble echinocandin compounds on Pneumocystis pneumonia in mice. | Antimicrobial agents and chemotherapy 19980101 |
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