Agrobactin; 3'-Deoxy
AlkaPlorer ID: AK283586
Synonym: Parabactin
IUPAC Name: N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
Structure
SMILES: CC1OC(C2=CC=CC=C2O)=NC1C(=O)N(CCCCN=C(O)C1=CC=CC(O)=C1O)CCCN=C(O)C1=CC=CC(O)=C1O
InChI: InChI=1S/C32H36N4O9/c1-19-26(35-31(45-19)20-9-2-3-12-23(20)37)32(44)36(18-8-16-34-30(43)22-11-7-14-25(39)28(22)41)17-5-4-15-33-29(42)21-10-6-13-24(38)27(21)40/h2-3,6-7,9-14,19,26,37-41H,4-5,8,15-18H2,1H3,(H,33,42)(H,34,43)
InChIKey: FRCJDPPXHQGEKS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Paracoccus denitrificans | Paracoccus | Paracoccaceae | Rhodobacterales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 620.6590000000003
TPSA？: 208.23
MolLogP？: 3.757000000000004
Number of H-Donors: 7
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|