Antibiotic WAP 8294A; Antibiotic WAP 8294A2, N24-De-Me
AlkaPlorer ID: AK288816
Synonym: Antibiotic WAP 8294AX9, WAP 8294AX9
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-methyl-40-(4-methylpentyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38-tridecaoxo-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: CC(C)CCCC1CC(O)=NC(CO)C(O)=NC(C(O)C(=N)O)C(O)=NC(CO)C(O)=NCC(O)=NC(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/c1-37(2)16-13-19-42-31-55(93)80-53(36-91)69(106)88-58(60(97)61(76)98)70(107)87-52(35-90)62(99)78-34-56(94)79-49(29-40-17-9-8-10-18-40)66(103)84-48(28-38(3)4)65(102)81-45(22-14-26-73)63(100)82-46(24-25-57(95)96)64(101)86-51(32-54(75)92)68(105)85-50(30-41-33-77-44-21-12-11-20-43(41)44)67(104)83-47(23-15-27-74)71(108)89(7)59(39(5)6)72(109)110-42/h8-12,17-18,20-21,33,37-39,42,45-53,58-60,77,90-91,97H,13-16,19,22-32,34-36,73-74H2,1-7H3,(H2,75,92)(H2,76,98)(H,78,99)(H,79,94)(H,80,93)(H,81,102)(H,82,100)(H,83,104)(H,84,103)(H,85,105)(H,86,101)(H,87,107)(H,88,106)(H,95,96)
InChIKey: XLRIHWZYAMJBJR-UHFFFAOYSA-N
Reference
A New Anti-MRSA Antibiotic Complex, WAP-8294A. I. Taxonomy, Isolation and Biological Activities.
PubChem CID: 102439066
LOTUS: LTS0078330
COCONUT: CNP0301460.1
{NPAtlas: NPA019120
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？: 659.0800000000003
MolLogP？: 5.980240000000015
Number of H-Donors: 22
Number of H-Acceptors: 22
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|