Agrocin 108
AlkaPlorer ID: AK111981
Synonym: None
IUPAC Name: [(3R,4R)-3-amino-2,4-dihydroxy-3-(hydroxymethyl)-5-oxocyclopenten-1-yl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-3-[(3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxolan-2-yl]methyl hydrogen phosphate
Structure
SMILES: N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OC3=C(O)[C@@](N)(CO)[C@@H](O)C3=O)[C@@H](OC3OC[C@@H](O)C(O)[C@H]3O)[C@H]2O)C(O)=N1
InChI: InChI=1S/C20H29N4O16P/c21-8-1-2-24(19(33)23-8)17-12(30)13(39-18-10(28)9(27)6(26)3-36-18)7(38-17)4-37-41(34,35)40-14-11(29)15(31)20(22,5-25)16(14)32/h1-2,6-7,9-10,12-13,15,17-18,25-28,30-32H,3-5,22H2,(H,34,35)(H2,21,23,33)/t6-,7-,9?,10-,12-,13-,15+,17-,18?,20-/m1/s1
InChIKey: YUMCOBIDABFYCR-HHLCLMOPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhizobium rhizogenes | Rhizobium | Rhizobiaceae | Hyphomicrobiales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 612.4380000000003
TPSA？: 330.05
MolLogP？: -5.31272999999999
Number of H-Donors: 11
Number of H-Acceptors: 19
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|