Thiazomycin E3
AlkaPlorer ID: AK045948
Synonym: '', 'Thiazomycin E3'
IUPAC Name: (2R,3S)-3-[(12S,19S,26Z,29S)-5-(4-carbamoyl-1,3-thiazol-2-yl)-4-hydroxy-29-[(1S)-1-hydroxyethyl]-12-(hydroxymethyl)-26-(1-methoxyethylidene)-14,21,28,31-tetraoxo-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2,4,6,8,11(38),15,18(37),22,25(36),32-undecaen-19-yl]-2,3-dihydroxypropanoic acid
Structure
SMILES: CO/C(C)=C1\N=C(O)[C@H]([C@H](C)O)N=C(O)C2=CSC(=N2)C2=CC(O)=C(C3=NC(C(=N)O)=CS3)N=C2C2=CSC(=N2)[C@H](CO)N=C(O)C2=CSC(=N2)[C@H]([C@H](O)[C@@H](O)C(=O)O)N=C(O)C2=CSC1=N2
InChI: InChI=1S/C38H35N11O13S5/c1-11(51)21-32(59)48-22(12(2)62-3)35-44-19(10-66-35)31(58)49-25(26(53)27(54)38(60)61)37-45-17(9-67-37)29(56)40-14(5-50)34-41-15(6-64-34)23-13(33-43-18(8-63-33)30(57)47-21)4-20(52)24(46-23)36-42-16(7-65-36)28(39)55/h4,6-11,14,21,25-27,50-54H,5H2,1-3H3,(H2,39,55)(H,40,56)(H,47,57)(H,48,59)(H,49,58)(H,60,61)/b22-12-/t11-,14-,21-,25-,26-,27+/m0/s1
InChIKey: JOFGHASJDDDCJI-NLRGUKBISA-N
Reference
Thiazomycins, Thiazolyl Peptide Antibiotics from <i>Amycolatopsis fastidiosa</i>
PubChem CID: 162895029
LOTUS: LTS0233468
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinokineospora fastidiosa | Actinokineospora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1014.097
TPSA？: 399.46
MolLogP？: 4.203570000000001
Number of H-Donors: 12
Number of H-Acceptors: 23
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|