A47934
AlkaPlorer ID: AK015219
Synonym: 'A-47934 Antibiotic', 'A47934', 'LY 154989', 'Antibiotic A 47934', 'A-47934'
IUPAC Name: (1R,2R,19R,22R,34S,37R,40R,52S)-22-amino-5,15,43-trichloro-2,21,31,35,38,44,47,49,54,56,59,64-dodecahydroxy-26-sulfooxy-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),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid
Structure
SMILES: N[C@H]1C(O)=N[C@@H]2CC3=CC=C(OC4=CC5=CC(=C4O)OC4=CC=C(C=C4Cl)[C@@H](O)[C@H]4N=C(O)[C@H](N=C(O)[C@@H]5N=C(O)[C@@H](N=C2O)C2=CC(O)=CC(=C2)OC2=CC1=CC=C2OS(=O)(=O)O)C1=CC(Cl)=C(O)C(=C1)C1=C(O)C=C(O)C=C1[C@@H](C(=O)O)N=C4O)C(Cl)=C3
InChI: InChI=1S/C58H44Cl3N7O21S/c59-31-7-20-1-4-36(31)87-40-15-25-16-41(51(40)74)88-37-5-3-22(12-32(37)60)49(72)48-57(80)67-47(58(81)82)29-18-27(70)19-35(71)42(29)30-11-24(13-33(61)50(30)73)45(56(79)68-48)65-55(78)46(25)66-54(77)44-23-9-26(69)17-28(10-23)86-39-14-21(2-6-38(39)89-90(83,84)85)43(62)53(76)63-34(8-20)52(75)64-44/h1-7,9-19,34,43-49,69-74H,8,62H2,(H,63,76)(H,64,75)(H,65,78)(H,66,77)(H,67,80)(H,68,79)(H,81,82)(H,83,84,85)/t34-,43-,44+,45-,46-,47+,48-,49-/m1/s1
InChIKey: HRGFAEUWEMDRRZ-ZYFHSOSJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces toyocaensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1313.4440000000004
TPSA？: 471.5300000000001
MolLogP？: 10.156
Number of H-Donors: 15
Number of H-Acceptors: 20
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|