Siomycin A; 1,2R,49S,49'-Tetrahydro, 26-thione, 1'-parent acid, Me ester
AlkaPlorer ID: AK313622
Synonym: Thiopeptin A1a
IUPAC Name: 2-[18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-6,9,16,38,41,44,47,59-octahydroxy-8,31-bis(1-hydroxyethyl)-26,40,46-trimethyl-43-methylidene-28-oxo-37-propan-2-yl-23-sulfanyl-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),4,6,9,12(63),16,19(62),21,23,29(61),30,32(60),33,38,41,44,47,54,57-nonadecaen-51-yl]-N-[3-hydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)iminoprop-1-en-2-yl]-1,3-thiazole-4-carboximidic acid
Structure
SMILES: C=C(N=C(O)C(=C)N=C(O)C1=CSC(C2CCC34N=C(O)C(C)N=C(O)C(=C)N=C(O)C(C)N=C(O)C(C(C)C)NC5C=CC6=C(C(C)O)C=C(N=C6C5O)C(=O)OC(C)C(N=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=CSC3=N5)C3=NC(=CS3)C4N2)=N1)C(=O)OC
InChI: InChI=1S/C72H86N18O18S6/c1-15-38-64-83-44(23-110-64)60(101)89-53(71(13,106)35(12)93)67-85-46(25-113-67)63(109)88-49-34(11)108-69(105)41-20-37(32(9)91)36-16-17-39(51(94)50(36)79-41)78-47(26(2)3)61(102)76-29(6)55(96)73-27(4)54(95)74-30(7)57(98)90-72(70-86-45(24-114-70)59(100)87-48(33(10)92)62(103)81-38)19-18-40(80-52(72)42-21-112-66(49)82-42)65-84-43(22-111-65)58(99)75-28(5)56(97)77-31(8)68(104)107-14/h15-17,20-22,24-26,29-30,32-35,39-40,44,47-49,51-53,78,80,91-94,106H,4-5,8,18-19,23H2,1-3,6-7,9-14H3,(H,73,96)(H,74,95)(H,75,99)(H,76,102)(H,77,97)(H,81,103)(H,87,100)(H,88,109)(H,89,101)(H,90,98)
InChIKey: NDTYCGKXWGNEJE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces tateyamensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1683.99
TPSA？: 560.2900000000002
MolLogP？: 8.89140000000001
Number of H-Donors: 17
Number of H-Acceptors: 32
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|