Siomycin A; 49S,49'-Dihydro, 26-thione, 4'-parent amide
AlkaPlorer ID: AK313617
Synonym: Thiopeptin A4b
IUPAC Name: N-(3-amino-3-oxoprop-1-en-2-yl)-2-[18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-59-hydroxy-8,31-bis(1-hydroxyethyl)-26,40,46-trimethyl-43-methylidene-6,9,16,28,38,41,44,47-octaoxo-37-propan-2-yl-23-sulfanylidene-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carboxamide
Structure
SMILES: C=C(N=C(O)C1=CSC(C2=NC3C4=CSC(=N4)C4N=C(S)C5=CSC(=N5)C(C(C)(O)C(C)O)N=C(O)C5CSC(=N5)C(=CC)N=C(O)C(C(C)O)N=C(O)C5=CSC(=N5)C3(CC2)N=C(O)C(C)N=C(O)C(=C)N=C(O)C(C)N=C(O)C(C(C)C)NC2C=CC3=C(C(C)O)C=C(N=C3C2O)C(=O)OC4C)=N1)C(=N)O
InChI: InChI=1S/C68H80N18O16S6/c1-13-35-61-79-41(21-104-61)57(97)85-50(67(12,101)32(11)89)64-81-43(23-107-64)60(103)84-46-31(10)102-65(100)38-18-34(29(8)87)33-14-15-36(48(90)47(33)75-38)74-44(24(2)3)58(98)73-27(6)53(93)71-26(5)52(92)72-28(7)54(94)86-68(66-82-42(22-108-66)56(96)83-45(30(9)88)59(99)77-35)17-16-37(76-49(68)39-19-106-63(46)78-39)62-80-40(20-105-62)55(95)70-25(4)51(69)91/h13-15,18-20,22-24,27-32,36,41,44-46,48-50,74,87-90,101H,4-5,16-17,21H2,1-3,6-12H3,(H2,69,91)(H,70,95)(H,71,93)(H,72,92)(H,73,98)(H,77,99)(H,83,96)(H,84,103)(H,85,97)(H,86,94)
InChIKey: NQKXNPRXTJCJQC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces tateyamensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1597.8999999999996
TPSA？: 545.8100000000002
MolLogP？: 8.941870000000005
Number of H-Donors: 17
Number of H-Acceptors: 30
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|