Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA007176
PROPERTIES
NPAID | NPA007176 |
---|---|
CLUSTER ID | 1575 |
NODE ID | 1292 |
NAME | Fimsbactin A |
FORMULA | C26H30N4O11 |
MOLECULAR WEIGHT (Da) | 574.5430 |
ACCURATE MASS (Da) | 574.1911 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Acinetobacter |
ORIGIN SPECIES | baumannii ATCC 17978 |
InChIKey | GUYAPGULLNBOCI-ROUUACIJSA-N |
InChI | InChI=1S/C26H30N4O11/c1-14(31)30(39)11-3-2-10-27-23(36)17(13-41-26(38)16-7-5-9-20(33)22(16)35)28-24(37)18-12-40-25(29-18)15-6-4-8-19(32)21(15)34/h4-9,17-18,32-35,39H,2-3,10-13H2,1H3,(H,27,36)(H,28,37)/t17-,18-/m0/s1 |
SMILES | CC(=O)N(CCCCNC(=O)[C@H](COC(=O)C1=C(C(=CC=C1)O)O)NC(=O)[C@@H]2COC(=N2)C3=C(C(=CC=C3)O)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Proschak, Anna; Lubuta, Patrice; Grün, Peter; Löhr, Frank; Wilharm, Gottfried; De Berardinis, Veronique; Bode, Helge B. Structure and Biosynthesis of Fimsbactins A-F, Siderophores from Acinetobacter baumannii and Acinetobacter baylyi ChemBioChem 2013 14 (5) 633-638. | ||
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DOI | 10.1002/cbic.201200764 | PMID | 23456955 |