Polyoxin E
AlkaPlorer ID: AK019295
Synonym: None
IUPAC Name: 1-[(2R,3R,4S,5R)-5-[[(2-amino-5-carbamoyloxy-4-hydroxypentanoyl)amino]-carboxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid
Structure
SMILES: N=C(O)OCC(O)CC(N)C(O)=NC(C(=O)O)[C@H]1O[C@@H](N2C=C(C(=O)O)C(O)=NC2=O)[C@H](O)[C@@H]1O
InChI: InChI=1S/C17H23N5O13/c18-6(1-4(23)3-34-16(19)32)12(27)20-7(15(30)31)10-8(24)9(25)13(35-10)22-2-5(14(28)29)11(26)21-17(22)33/h2,4,6-10,13,23-25H,1,3,18H2,(H2,19,32)(H,20,27)(H,28,29)(H,30,31)(H,21,26,33)/t4?,6?,7?,8-,9+,10+,13+/m0/s1
InChIKey: PSMMGZFBBZWLFJ-HQLOUJRVSA-N
Reference
Polyoxins, antifungal antibiotics. XIII. Structure of polyoxins
PubChem CID: 3084385
CAS: 22976-87-0
LOTUS: LTS0208185
{NPAtlas: NPA024645
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces cacaoi | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 505.3930000000002
TPSA？: 311.56
MolLogP？: -3.7363299999999975
Number of H-Donors: 10
Number of H-Acceptors: 14
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|