Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005435753 | Gold | 1 |
COMPOUND NPA033096
PROPERTIES
| NPAID | NPA033096 |
|---|---|
| CLUSTER ID | 3140 |
| NODE ID | 2393 |
| NAME | Vibriobactin |
| FORMULA | C35H39N5O11 |
| MOLECULAR WEIGHT (Da) | 705.7210 |
| ACCURATE MASS (Da) | 705.2646 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | LLMKLMMXMOTPRU-YOAXHERRSA-N |
| InChI | InChI=1S/C35H39N5O11/c1-18-26(38-33(50-18)21-9-4-12-24(42)29(21)45)32(48)37-15-7-17-40(16-6-14-36-31(47)20-8-3-11-23(41)28(20)44)35(49)27-19(2)51-34(39-27)22-10-5-13-25(43)30(22)46/h3-5,8-13,18-19,26-27,41-46H,6-7,14-17H2,1-2H3,(H,36,47)(H,37,48)/t18-,19+,26+,27-/m0/s1 |
| SMILES | C[C@@H]1OC(C2=C(O)C(O)=CC=C2)=N[C@H]1C(=O)NCCCN(CCCNC(=O)C1=C(O)C(O)=CC=C1)C(=O)[C@H]1N=C(C2=C(O)C(O)=CC=C2)O[C@@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Griffiths, G L; Sigel, S P; Payne, S M; Neilands, J B Vibriobactin, a siderophore from Vibrio cholerae. Journal of Biological Chemistry 1984 259 (1) 383-385. | ||
|---|---|---|---|
| DOI | 10.1016/S0021-9258(17)43671-4 | PMID | - |
