Pseudobactin 7SR1
AlkaPlorer ID: AK311457
Synonym: Pyoverdin cyclo-Pf P19
IUPAC Name: 2-[12-[[2-[2-[[5-[acetyl(hydroxy)amino]-2-[[2-[[5-[(4-amino-3-hydroxy-4-oxobutanoyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinoline-1-carbonyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]amino]propanoylamino]acetyl]amino]-3-(1-hydroxyethyl)-9-(hydroxymethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-6-yl]-2-hydroxyacetic acid
Structure
SMILES: CC(=O)N(O)CCCC(NC(=O)C(CO)NC(=O)C1CCN=C2C(NC(=O)CC(O)C(N)=O)=CC3=CC(O)=C(O)C=C3N21)C(=O)NC(C)C(=O)NCC(=O)NC1COC(=O)C(C(C)O)NC(=O)C(C(O)C(=O)O)NC(=O)C(CO)NC1=O
InChI: InChI=1S/C46H63N13O23/c1-17(38(71)49-13-32(68)52-25-16-82-46(80)33(18(2)62)56-44(77)34(35(69)45(78)79)57-41(74)24(15-61)54-42(25)75)50-39(72)21(5-4-8-58(81)19(3)63)53-40(73)23(14-60)55-43(76)26-6-7-48-37-22(51-31(67)12-30(66)36(47)70)9-20-10-28(64)29(65)11-27(20)59(26)37/h9-11,17-18,21,23-26,30,33-35,60-62,64-66,69,81H,4-8,12-16H2,1-3H3,(H2,47,70)(H,49,71)(H,50,72)(H,51,67)(H,52,68)(H,53,73)(H,54,75)(H,55,76)(H,56,77)(H,57,74)(H,78,79)
InChIKey: XEORFJIUWQTVJK-UHFFFAOYSA-N
Reference
CAS: 90295-72-0
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas sp. 7SR1 | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| Pseudomonas fluorescens | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1166.0780000000009
TPSA？: 566.34
MolLogP？: -10.302700000000018
Number of H-Donors: 19
Number of H-Acceptors: 24
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|