RS-22 B
AlkaPlorer ID: AK032394
Synonym: '', '2-demethylazalomycin F4a', 'RS-22B', '2-Demethylazalomycin F4a', 'RS-22 B', 'Antibiotic RS 22B'
IUPAC Name: 3-[[(1S,3R,5S,7S,9S,10E,12E,14S,15S,18Z,20E,22R,23S,25S,26R,27R,30R,31S,33S,34S,35R)-5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,22,26,30-pentamethyl-15-[(E,2S)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid
Structure
SMILES: CNC(=N)NCCC/C=C/CCC[C@H](C)[C@@H]1OC(=O)/C=C\C=C\[C@@H](C)[C@@H](O)C[C@H](O)[C@H](C)[C@H](O)CC[C@@H](C)[C@@H](O)C[C@]2(O)O[C@H](C[C@H](OC(=O)CC(=O)O)C[C@@H](O)C[C@H](O)C[C@H](O)/C(C)=C/C=C/[C@@H]1C)C[C@@H](O)[C@@H]2O
InChI: InChI=1S/C55H93N3O17/c1-33-17-13-14-21-50(69)74-52(36(4)18-12-10-8-9-11-15-24-58-54(56)57-7)37(5)20-16-19-34(2)44(62)27-40(60)25-39(59)26-41(73-51(70)31-49(67)68)28-42-29-47(65)53(71)55(72,75-42)32-48(66)35(3)22-23-43(61)38(6)46(64)30-45(33)63/h8-9,13-14,16-17,19-21,33,35-48,52-53,59-66,71-72H,10-12,15,18,22-32H2,1-7H3,(H,67,68)(H3,56,57,58)/b9-8+,17-13+,20-16+,21-14-,34-19+/t33-,35-,36+,37+,38-,39+,40+,41-,42-,43-,44+,45+,46+,47-,48+,52+,53+,55+/m1/s1
InChIKey: AQRJZDXKNNHWLN-ILNVUIGDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces violaceusniger | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1068.353
TPSA？: 349.34000000000003
MolLogP？: 3.190570000000004
Number of H-Donors: 14
Number of H-Acceptors: 17
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|