Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033086
PROPERTIES
| NPAID | NPA033086 |
|---|---|
| CLUSTER ID | 9542 |
| NODE ID | 6388 |
| NAME | Azotobactin delta |
| FORMULA | C55H76N16O27 |
| MOLECULAR WEIGHT (Da) | 1393.2980 |
| ACCURATE MASS (Da) | 1392.5066 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Azotobacter |
| ORIGIN SPECIES | vinelandii CCM 289 |
| InChIKey | WGOVZMUSMHDYFQ-KUSJVTOFSA-N |
| InChI | InChI=1S/C55H76N16O27/c1-23(76)70(97)11-3-5-26(44(85)63-29-9-15-98-53(29)94)59-45(86)28(8-14-73)62-43(84)25(4-2-10-57-54(56)95)60-48(89)33(22-75)66-50(91)40(41(82)52(92)93)68-38(79)20-58-42(83)27(7-13-72)61-47(88)32(21-74)65-46(87)30(18-39(80)81)64-49(90)34-6-12-69-51-31(67-55(69)96)16-24-17-36(77)37(78)19-35(24)71(34)51/h16-17,19,25-30,32-34,40-41,72-75,77,82,97H,2-15,18,20-22H2,1H3,(H,58,83)(H,59,86)(H,60,89)(H,61,88)(H,62,84)(H,63,85)(H,64,90)(H,65,87)(H,66,91)(H,67,96)(H,68,79)(H,80,81)(H,92,93)(H3,56,57,95)/t25-,26-,27+,28+,29+,30+,32-,33+,34?,40-,41-/m1/s1 |
| SMILES | CC(=O)N(O)CCC[C@@H](NC(=O)[C@H](CCO)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CCO)NC(=O)[C@@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)C1CCN2C(=O)[NH]C3=C2N1C1=CC(=O)C(O)=CC1=C3)[C@@H](O)C(=O)O)C(=O)N[C@H]1CCOC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Demange, Pascal; Bateman, Andrew; Dell, Anne; Abdallah, Mohamed A. Structure of azotobactin D, a siderophore of Azotobacter vinelandii strain D (CCM 289). Biochemistry 1988 27 (8) 2745-2752. | ||
|---|---|---|---|
| DOI | 10.1021/bi00408a014 | PMID | - |
