Antibiotic A 41030A
AlkaPlorer ID: AK288214
Synonym: None
IUPAC Name: 22-amino-5,15,43-trichloro-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
Structure
SMILES: NC1C(=O)NC2CC3=CC=C(OC4=CC5=CC(=C4O)OC4=CC=C(C=C4Cl)C(O)C4NC(=O)C(NC(=O)C5NC(=O)C(NC2=O)C2=CC(O)=CC(=C2)OC2=CC1=CC=C2O)C1=CC(Cl)=C(O)C(=C1)C1=C(O)C=C(O)C=C1C(C(=O)O)NC4=O)C(Cl)=C3
InChI: InChI=1S/C58H44Cl3N7O18/c59-31-7-20-1-5-37(31)85-40-15-25-16-41(51(40)75)86-38-6-3-22(12-32(38)60)49(73)48-57(81)67-47(58(82)83)29-18-27(70)19-36(72)42(29)30-11-24(13-33(61)50(30)74)45(56(80)68-48)65-55(79)46(25)66-54(78)44-23-9-26(69)17-28(10-23)84-39-14-21(2-4-35(39)71)43(62)53(77)63-34(8-20)52(76)64-44/h1-7,9-19,34,43-49,69-75H,8,62H2,(H,63,77)(H,64,76)(H,65,79)(H,66,78)(H,67,81)(H,68,80)(H,82,83)
InChIKey: KJTFTWQSEBLIPM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces virginiae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1233.38
TPSA？: 407.22
MolLogP？: 5.638200000000006
Number of H-Donors: 15
Number of H-Acceptors: 18
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|