Guanidylfungin A; N-De-Me
AlkaPlorer ID: AK047604
Synonym: Guanidylfungin B
IUPAC Name: 3-[[15-[10-(diaminomethylideneamino)-4-methyldec-4-en-2-yl]-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,10,14,18,22,26,30-heptamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,20-dien-3-yl]oxy]-3-oxopropanoic acid
Structure
SMILES: CC(=CCCCCCNC(=N)N)CC(C)C1OC(=O)C(C)C(O)C=CC(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(OC(=O)CC(=O)O)CC(O)CC(O)C(C)C(O)C(C)=CCCC1C)CC(O)C2O
InChI: InChI=1S/C57H101N3O18/c1-31(15-12-10-11-13-22-60-56(58)59)23-36(6)53-35(5)17-14-16-34(4)52(72)38(8)46(65)25-40(61)24-41(76-51(71)29-50(69)70)26-42-27-48(67)54(73)57(75,78-42)30-49(68)33(3)19-20-43(62)37(7)47(66)28-45(64)32(2)18-21-44(63)39(9)55(74)77-53/h15-16,18,21,32-33,35-49,52-54,61-68,72-73,75H,10-14,17,19-20,22-30H2,1-9H3,(H,69,70)(H4,58,59,60)
InChIKey: DKKFZXHYKVUWNM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces hygroscopicus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1116.438
TPSA？: 383.56000000000006
MolLogP？: 3.2307700000000072
Number of H-Donors: 15
Number of H-Acceptors: 18
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|