Antibiotic WAP 8294A; Antibiotic WAP 8294A1
AlkaPlorer ID: AK288813
Synonym: WAP 8294A1
IUPAC Name: 3-[33-(2-amino-1-hydroxy-2-oxoethyl)-12-(2-amino-2-oxoethyl)-6,18-bis(3-aminopropyl)-24-benzyl-30,36-bis(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-4,25-dimethyl-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38-tridecaoxo-40-pentyl-3-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37-dodecazacyclotetracont-15-yl]propanoic acid
Structure
SMILES: CCCCCC1CC(O)=NC(CO)C(O)=NC(C(O)C(=N)O)C(O)=NC(CO)C(O)=NCC(=O)N(C)C(CC2=CC=CC=C2)C(O)=NC(CC(C)C)C(O)=NC(CCCN)C(O)=NC(CCC(=O)O)C(O)=NC(CC(=N)O)C(O)=NC(CC2=CNC3=CC=CC=C23)C(O)=NC(CCCN)C(=O)N(C)C(C(C)C)C(=O)O1
InChI: InChI=1S/C72H109N17O21/c1-8-9-11-20-42-32-55(93)79-52(37-91)68(105)87-58(60(97)61(76)98)70(107)86-51(36-90)62(99)78-35-56(94)88(6)53(30-40-18-12-10-13-19-40)69(106)85-48(29-38(2)3)65(102)80-45(23-16-27-73)63(100)81-46(25-26-57(95)96)64(101)84-50(33-54(75)92)67(104)83-49(31-41-34-77-44-22-15-14-21-43(41)44)66(103)82-47(24-17-28-74)71(108)89(7)59(39(4)5)72(109)110-42/h10,12-15,18-19,21-22,34,38-39,42,45-53,58-60,77,90-91,97H,8-9,11,16-17,20,23-33,35-37,73-74H2,1-7H3,(H2,75,92)(H2,76,98)(H,78,99)(H,79,93)(H,80,102)(H,81,100)(H,82,103)(H,83,104)(H,84,101)(H,85,106)(H,86,107)(H,87,105)(H,95,96)
InChIKey: FWROJRTZGTXNCS-UHFFFAOYSA-N
Reference
A New Anti-MRSA Antibiotic Complex, WAP-8294A. I. Taxonomy, Isolation and Biological Activities.
PubChem CID: 102439063
LOTUS: LTS0232461
COCONUT: CNP0336708.1
{NPAtlas: NPA016633
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lysobacter sp. | Lysobacter | Xanthomonadaceae | Xanthomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1548.762
TPSA？: 646.8000000000003
MolLogP？: 5.236140000000013
Number of H-Donors: 21
Number of H-Acceptors: 22
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|