Thiomuracin A
AlkaPlorer ID: AK016274
Synonym: None
IUPAC Name: 2-[[1-hydroxy-2-[[hydroxy-[2-[(18S,25S,32S,35S)-16,23,30,33-tetrahydroxy-18-(2-hydroxy-2-iminoethyl)-25-[(R)-hydroxy(phenyl)methyl]-32-[(4-hydroxyphenyl)methyl]-21-methyl-35-[(1R)-1-(oxiran-2-yl)ethyl]-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,16,19(41),21,23,26(40),28,30,33,36(39)-heptadecaen-8-yl]-1,3-thiazol-4-yl]methylidene]amino]prop-2-enylidene]amino]prop-2-enoic acid
Structure
SMILES: C=C(N=C(O)C(=C)N=C(O)C1=CSC(C2=CC=C3C4=NC(=CS4)C(O)=N[C@@H](CC(=N)O)C4=NC(=C(C)S4)C(O)=N[C@@H]([C@H](O)C4=CC=CC=C4)C4=NC(=CS4)C(O)=N[C@@H](CC4=CC=C(O)C=C4)C(O)=N[C@@H]([C@@H](C)C4CO4)C4=NC(=CS4)C4=NC(=CS4)C3=N2)=N1)C(=O)O
InChI: InChI=1S/C59H50N14O12S6/c1-24(40-18-85-40)42-57-70-39(23-90-57)55-66-35(19-87-55)44-31(14-15-32(63-44)54-68-36(21-88-54)49(79)61-25(2)47(77)62-26(3)59(83)84)53-67-37(20-86-53)51(81)65-34(17-41(60)75)56-73-43(27(4)91-56)52(82)72-45(46(76)29-8-6-5-7-9-29)58-69-38(22-89-58)50(80)64-33(48(78)71-42)16-28-10-12-30(74)13-11-28/h5-15,19-24,33-34,40,42,45-46,74,76H,2-3,16-18H2,1,4H3,(H2,60,75)(H,61,79)(H,62,77)(H,64,80)(H,65,81)(H,71,78)(H,72,82)(H,83,84)/t24-,33-,34-,40?,42-,45-,46+/m0/s1
InChIKey: ZNNAUCGMAFZTIY-JVLMLHMMSA-N
Reference
Ribosomally Synthesized Thiopeptide Antibiotics Targeting Elongation Factor Tu
PubChem CID: 101463537
LOTUS: LTS0003204
{NPAtlas: NPA000468
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nonomuraea sp. | Nonomuraea | Streptosporangiaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1339.5370000000005
TPSA？: 420.13999999999993
MolLogP？: 11.588489999999991
Number of H-Donors: 11
Number of H-Acceptors: 24
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|