4-[[(1S)-1-[[1-[6-[[1-[[5-amino-1-[[5-amino-1-[[1-(carboxymethylamino)-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl]-2-hydroxyethyl]carbamoyl]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-5-yl]amino]-4-oxobutanoic acid
AlkaPlorer ID: AK346536
Synonym: None
IUPAC Name: 4-[[(1S)-1-[[1-[6-[[1-[[5-amino-1-[[5-amino-1-[[1-(carboxymethylamino)-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl]-2-hydroxyethyl]carbamoyl]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-5-yl]amino]-4-oxobutanoic acid
Structure
SMILES: N=C(O)CCC(N=C(O)C(CCCN(O)C=O)N=C(O)C1CCN=C(C(CO)N=C(O)[C@@H]2CCNC3=C(N=C(O)CCC(=O)O)C=C4C=C(O)C(=O)C=C4N32)N1)C(O)=NC(CCC(N)=O)C(O)=NC(CCCN(O)C=O)C(O)=NCC(=O)O
InChI: InChI=1S/C48H67N15O20/c49-36(69)7-5-27(45(78)56-25(3-1-15-61(82)22-65)43(76)53-20-40(74)75)59-46(79)28(6-8-37(50)70)58-44(77)26(4-2-16-62(83)23-66)57-47(80)29-11-13-51-41(55-29)31(21-64)60-48(81)32-12-14-52-42-30(54-38(71)9-10-39(72)73)17-24-18-34(67)35(68)19-33(24)63(32)42/h17-19,22-23,25-29,31-32,52,64,67,82-83H,1-16,20-21H2,(H2,49,69)(H2,50,70)(H,51,55)(H,53,76)(H,54,71)(H,56,78)(H,57,80)(H,58,77)(H,59,79)(H,60,81)(H,72,73)(H,74,75)/t25?,26?,27?,28?,29?,31?,32-/m0/s1
InChIKey: BQAUYRQMRXRGOO-RAVWKCBISA-N
Reference
Novel pyoverdine biosynthesis gene(s) of Pseudomonas aeruginosa PAO
PubChem CID: 163190100
LOTUS: LTS0013237
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas aeruginosa | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1174.149
TPSA？: 569.8600000000001
MolLogP？: 0.7240700000000069
Number of H-Donors: 18
Number of H-Acceptors: 22
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|