Molecule

Antibiotic WAP 8294A; Antibiotic WAP 8294A2

AlkaPlorer ID: AK288814

Synonym: Lotilibcin, WAP 8294A2

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-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)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/C73H111N17O21/c1-38(2)17-14-20-43-32-56(94)80-53(37-92)69(106)88-59(61(98)62(77)99)71(108)87-52(36-91)63(100)79-35-57(95)89(7)54(30-41-18-10-9-11-19-41)70(107)86-49(29-39(3)4)66(103)81-46(23-15-27-74)64(101)82-47(25-26-58(96)97)65(102)85-51(33-55(76)93)68(105)84-50(31-42-34-78-45-22-13-12-21-44(42)45)67(104)83-48(24-16-28-75)72(109)90(8)60(40(5)6)73(110)111-43/h9-13,18-19,21-22,34,38-40,43,46-54,59-61,78,91-92,98H,14-17,20,23-33,35-37,74-75H2,1-8H3,(H2,76,93)(H2,77,99)(H,79,100)(H,80,94)(H,81,103)(H,82,101)(H,83,104)(H,84,105)(H,85,102)(H,86,107)(H,87,108)(H,88,106)(H,96,97)

InChIKey: LEKBQPKGXGFBAN-UHFFFAOYSA-N

Reference

Identification and Characterization of the Anti-Methicillin-Resistant Staphylococcus aureus WAP-8294A2 Biosynthetic Gene Cluster from Lysobacter enzymogenes OH11

PubChem CID: 16143496

CAS: 169148-84-9

LOTUS: LTS0261720

COCONUT: CNP0264126.3

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NPAtlas: NPA018076

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lysobacter sp.	Lysobacter	Xanthomonadaceae	Xanthomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Lysobacter enzymogenes	Lysobacter	Xanthomonadaceae	Xanthomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 1562.789

TPSA？: 646.8000000000003

MolLogP？: 5.482140000000013

Number of H-Donors: 21

Number of H-Acceptors: 22

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi