Thiazomycin A
AlkaPlorer ID: AK035873
Synonym: '', 'Thiazomycin A'
IUPAC Name: 2-[(1S,18S,21E,28S,29S,30S)-30-[[(2R,3aR,4S,6S,7aS)-2,3,4,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-6-yl]oxy]-9,52-dihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-N-(3-amino-3-oxoprop-1-en-2-yl)-1,3-thiazole-4-carboxamide
Structure
SMILES: C=C(N=C(O)C1=CSC(C2=C(O)C=C3C4=NC(=CS4)C(O)=N[C@@H]([C@@H](C)O)C(O)=N/C(=C(\C)OC)C4=NC(=CS4)C(O)=N[C@@H]4C5=NC(=CS5)C(O)=N[C@@H](COC(=O)C5=C6CO[C@@H]4[C@H](O[C@H]4C[C@]7(C)O[C@H](C)N(C)[C@@H]7[C@H](C)O4)C(=O)OCC4=CC=CC(=C46)N5O)C4=NC(=CS4)C3=N2)=N1)C(=N)O
InChI: InChI=1S/C62H60N14O18S5/c1-22(49(63)79)64-50(80)32-19-98-58(69-32)43-37(78)12-28-42(71-43)31-17-96-56(66-31)30-16-91-60(85)45-29-15-89-46(47(61(86)90-14-27-10-9-11-36(39(27)29)76(45)87)93-38-13-62(6)48(25(4)92-38)75(7)26(5)94-62)44(59-70-33(20-99-59)51(81)65-30)74-53(83)35-21-97-57(68-35)41(24(3)88-8)73-54(84)40(23(2)77)72-52(82)34-18-95-55(28)67-34/h9-12,17-21,23,25-26,30,38,40,44,46-48,77-78,87H,1,13-16H2,2-8H3,(H2,63,79)(H,64,80)(H,65,81)(H,72,82)(H,73,84)(H,74,83)/b41-24+/t23-,25+,26-,30+,38+,40+,44+,46+,47+,48-,62+/m1/s1
InChIKey: LPGAAUZJQIRAAG-QPTLKVNZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinokineospora fastidiosa | Actinokineospora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1449.5769999999998
TPSA？: 451.9800000000001
MolLogP？: 8.83507000000001
Number of H-Donors: 10
Number of H-Acceptors: 31
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|