Antibiotic KB 425796; Antibiotic KB 425796A
AlkaPlorer ID: AK288480
Synonym: KB 425796A
IUPAC Name: 2-[9-(3-aminopropyl)-34-[3-(carbamoylamino)propyl]-31-[(5-hydroxy-1H-indol-3-yl)methyl]-6-(1H-imidazol-5-ylmethyl)-25-(1H-indol-3-ylmethyl)-13-(10-methylundecyl)-2,5,8,11,15,18,21,24,27,30,33,36,39-tridecaoxo-3,19-di(propan-2-yl)-14-oxa-1,4,7,10,17,20,23,26,29,32,35,38-dodecazabicyclo[38.3.0]tritetracontan-16-yl]acetic acid
Structure
SMILES: CC(C)CCCCCCCCCC1CC(O)=NC(CCCN)C(O)=NC(CC2=CN=CN2)C(O)=NC(C(C)C)C(=O)N2CCCC2C(O)=NCC(O)=NC(CCCNC(=N)O)C(O)=NC(CC2=CNC3=CC=C(O)C=C23)C(O)=NCC(O)=NC(CC2=CNC3=CC=CC=C23)C(O)=NCC(O)=NC(C(C)C)C(O)=NC(CC(=O)O)C(=O)O1
InChI: InChI=1S/C79H115N19O18/c1-44(2)19-12-10-8-7-9-11-13-20-51-35-63(100)90-56(23-16-28-80)72(108)94-60(33-49-39-82-43-89-49)74(110)97-69(46(5)6)77(113)98-30-18-25-62(98)75(111)88-41-64(101)91-57(24-17-29-83-79(81)115)73(109)93-59(32-48-38-85-55-27-26-50(99)34-53(48)55)71(107)86-40-65(102)92-58(31-47-37-84-54-22-15-14-21-52(47)54)70(106)87-42-66(103)96-68(45(3)4)76(112)95-61(36-67(104)105)78(114)116-51/h14-15,21-22,26-27,34,37-39,43-46,51,56-62,68-69,84-85,99H,7-13,16-20,23-25,28-33,35-36,40-42,80H2,1-6H3,(H,82,89)(H,86,107)(H,87,106)(H,88,111)(H,90,100)(H,91,101)(H,92,102)(H,93,109)(H,94,108)(H,95,112)(H,96,103)(H,97,110)(H,104,105)(H3,81,83,115)
InChIKey: JHVZOPAAIYXZCE-UHFFFAOYSA-N
Reference
KB425796-A, a novel antifungal antibiotic produced by Paenibacillus sp. 530603
PubChem CID: 46902076
LOTUS: LTS0193212
COCONUT: CNP0194785.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Paenibacillus sp. | Paenibacillus | Paenibacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1618.904
TPSA？: 605.0200000000003
MolLogP？: 10.437670000000011
Number of H-Donors: 20
Number of H-Acceptors: 19
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|