Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA014047
PROPERTIES
NPAID | NPA014047 |
---|---|
CLUSTER ID | 5070 |
NODE ID | 3306 |
NAME | Pyoverdin |
FORMULA | C48H68N15O20+ |
MOLECULAR WEIGHT (Da) | 1175.1570 |
ACCURATE MASS (Da) | 1174.4760 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Pseudomonas |
ORIGIN SPECIES | aeruginosa Pa6 |
InChIKey | NTMRGNGSPRGFGC-RAVWKCBISA-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/h17-19,22-23,25-29,31-32,64,82-83H,1-16,20-21H2,(H16,49,50,51,52,53,54,55,56,57,58,59,60,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81)/p+1/t25?,26?,27?,28?,29?,31?,32-/m0/s1 |
SMILES | C1CNC2=C(C=C3C=C(C(=CC3=[N+]2[C@@H]1C(=O)NC(CO)C4=NCCC(N4)C(=O)NC(CCCN(C=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN(C=O)O)C(=O)NCC(=O)O)O)O)NC(=O)CCC(=O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Cornelis, PIERRE; Hohnadel, D; Meyer, JEAN-MARIE Evidence for different pyoverdine-mediated iron uptake systems among Pseudomonas aeruginosa strains Infection and Immunity 1989 57 (11) 3491-3497. | ||
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DOI | 10.5281/zenodo.3541310 | PMID | 2509364 |