Actagardine, unoxidised form
AlkaPlorer ID: AK075092
Synonym: None
IUPAC Name: None
Structure
SMILES: CCC(C)C1NC(=O)C(C(C)C)NC(=O)C2NC(=O)CNC(=O)C3CSC(C)C(NC(=O)C4CSCC(N)C(=O)NC(CO)C(=O)NCC(=O)NC(CC5=CNC6=CC=CC=C56)C(=O)NC(C(C)C)C(=O)N4)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)N3)C(C)SCC(NC1=O)C(=O)NC(C)C(=O)NC(C(=O)O)CSC2C
InChI: InChI=1S/C81H124N20O23S4/c1-15-37(9)60-76(118)88-47(21-22-57(105)106)69(111)91-52-31-126-41(13)63(101-73(115)51-30-125-29-45(82)66(108)90-50(28-102)67(109)84-26-55(103)87-49(71(113)96-58(35(5)6)74(116)92-51)24-43-25-83-46-20-18-17-19-44(43)46)78(120)89-48(23-34(3)4)70(112)100-64(80(122)99-60)42(14)127-32-53-72(114)86-39(11)65(107)94-54(81(123)124)33-128-40(12)62(95-56(104)27-85-68(52)110)79(121)97-59(36(7)8)75(117)98-61(38(10)16-2)77(119)93-53/h17-20,25,34-42,45,47-54,58-64,83,102H,15-16,21-24,26-33,82H2,1-14H3,(H,84,109)(H,85,110)(H,86,114)(H,87,103)(H,88,118)(H,89,120)(H,90,108)(H,91,111)(H,92,116)(H,93,119)(H,94,107)(H,95,104)(H,96,113)(H,97,121)(H,98,117)(H,99,122)(H,100,112)(H,101,115)(H,105,106)(H,123,124)
InChIKey: BONKUOOMLCEDCZ-UHFFFAOYSA-N
Reference
Sequence determination of actagardine, a novel lantibiotic, by homonuclear 2D NMR spectroscopy.
PubChem CID: 139586851
LOTUS: LTS0183229
COCONUT: CNP0281944
{NPAtlas: NPA013575
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinoplanes sp. | Actinoplanes | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1874.268
TPSA？: 660.4399999999999
MolLogP？: -5.408499999999975
Number of H-Donors: 23
Number of H-Acceptors: 26
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|