Antibiotic SQ 28504
AlkaPlorer ID: AK070822
Synonym: SQ 28504
IUPAC Name: 2-[[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[4-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-aminohexanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid
Structure
SMILES: CC(=O)NC1C(OC(C)C(NC(=O)C(CCCCN)NC(=O)C2CC(OC3OC(CO)C(OS(=O)(=O)O)C(O)C3NC(C)=O)C(CO)N2)C(=O)NC(CO)C(=O)O)OC(CO)C(O)C1O
InChI: InChI=1S/C35H61N7O22S/c1-13(60-34-24(37-14(2)47)27(50)26(49)21(11-45)62-34)23(32(54)41-19(10-44)33(55)56)42-30(52)16(6-4-5-7-36)40-31(53)17-8-20(18(9-43)39-17)61-35-25(38-15(3)48)28(51)29(22(12-46)63-35)64-65(57,58)59/h13,16-29,34-35,39,43-46,49-51H,4-12,36H2,1-3H3,(H,37,47)(H,38,48)(H,40,53)(H,41,54)(H,42,52)(H,55,56)(H,57,58,59)
InChIKey: QDVTVAUGXIGPIM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chromobacterium violaceum | Chromobacterium | Chromobacteriaceae | Neisseriales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 963.9670000000004
TPSA？: 462.98
MolLogP？: -9.125700000000029
Number of H-Donors: 16
Number of H-Acceptors: 22
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|