Thioholgamide A
AlkaPlorer ID: AK326346
Synonym: None
IUPAC Name: N-[9-benzyl-6-[(1,3-dimethylimidazol-1-ium-4-yl)-hydroxymethyl]-12,19-dimethyl-5,8,11,14,17-pentaoxo-15-propan-2-yl-1-thia-4,7,10,13,16-pentazacyclononadec-2-en-18-yl]-2-[2-[2-[2-[[2-[[3-methyl-2-(2-oxopropanoylamino)butanethioyl]amino]-4-methylsulfanylbutanethioyl]amino]propanoylamino]propanethioylamino]propanethioylamino]propanamide
Structure
SMILES: CSCCC(N=C(S)C(N=C(O)C(C)=O)C(C)C)C(S)=NC(C)C(O)=NC(C)C(S)=NC(C)C(S)=NC(C)C(O)=NC1C(O)=NC(C(C)C)C(O)=NC(C)C(O)=NC(CC2=CC=CC=C2)C(O)=NC(C(O)C2=C[N+](C)=CN2C)C(O)=NC=CSC1C
InChI: InChI=1S/C56H84N14O10S6/c1-27(2)40-51(79)58-29(5)46(74)63-38(24-36-18-16-15-17-19-36)49(77)68-43(44(72)39-25-69(12)26-70(39)13)50(78)57-21-23-86-35(11)42(52(80)65-40)67-47(75)31(7)60-54(82)33(9)62-53(81)32(8)59-45(73)30(6)61-55(83)37(20-22-85-14)64-56(84)41(28(3)4)66-48(76)34(10)71/h15-19,21,23,25-33,35,37-38,40-44,72H,20,22,24H2,1-14H3,(H11-,57,58,59,60,61,62,63,64,65,66,67,68,73,74,75,76,77,78,79,80,81,82,83,84)/p+1
InChIKey: FRMXVRMEEBFTBC-UHFFFAOYSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces malaysiense | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1306.7859999999998
TPSA？: 356.27
MolLogP？: 8.505600000000005
Number of H-Donors: 13
Number of H-Acceptors: 17
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|