Roseobactin
AlkaPlorer ID: AK328424
Synonym: None
IUPAC Name: 2-[2-[3-[4-[(3,4-dihydroxybenzoyl)amino]butylamino]propylamino]-2-oxoethyl]-4-[3-[4-[(4,5-dihydroxycyclohexa-1,5-diene-1-carbonyl)amino]butylamino]propylamino]-2-hydroxy-3,3-dimethyl-4-oxobutanoic acid
Structure
SMILES: CC(C)(C(=O)NCCCNCCCCNC(=O)C1=CCC(O)C(O)=C1)C(O)(CC(=O)NCCCNCCCCNC(=O)C1=CC=C(O)C(O)=C1)C(=O)O
InChI: InChI=1S/C36H56N6O11/c1-35(2,33(50)42-20-8-16-38-14-4-6-18-41-32(49)25-10-12-27(44)29(46)22-25)36(53,34(51)52)23-30(47)39-19-7-15-37-13-3-5-17-40-31(48)24-9-11-26(43)28(45)21-24/h9-11,21-22,27,37-38,43-46,53H,3-8,12-20,23H2,1-2H3,(H,39,47)(H,40,48)(H,41,49)(H,42,50)(H,51,52)
InChIKey: LCNAKNAUQPALFL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaeobacter inhibens | Phaeobacter | Roseobacteraceae | Rhodobacterales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 748.8750000000002
TPSA？: 278.91
MolLogP？: 0.0609000000000073
Number of H-Donors: 12
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|