Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA029837
PROPERTIES
| NPAID | NPA029837 |
|---|---|
| CLUSTER ID | 34 |
| NODE ID | 33 |
| NAME | Amphi-enterobactin C12-OH |
| FORMULA | C45H54N4O19 |
| MOLECULAR WEIGHT (Da) | 954.9360 |
| ACCURATE MASS (Da) | 954.3382 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Vibrio |
| ORIGIN SPECIES | campbellii, Proteobacteria Vibrio harveyi |
| InChIKey | AFBSGQPOTIOCSW-UHFFFAOYSA-N |
| InChI | InChI=1S/C45H54N4O19/c1-2-3-4-5-6-7-8-12-24(50)19-35(54)46-28-20-65-43(62)30(48-40(59)26-14-10-17-33(52)37(26)56)22-67-45(64)31(49-41(60)27-15-11-18-34(53)38(27)57)23-68-44(63)29(21-66-42(28)61)47-39(58)25-13-9-16-32(51)36(25)55/h9-11,13-18,24,28-31,50-53,55-57H,2-8,12,19-23H2,1H3,(H,46,54)(H,47,58)(H,48,59)(H,49,60) |
| SMILES | CCCCCCCCCC(O)CC(=O)NC1COC(=O)C(NC(=O)C2=C(O)C(O)=CC=C2)COC(=O)C(NC(=O)C2=C(O)C(O)=CC=C2)COC(=O)C(NC(=O)C2=C(O)C(O)=CC=C2)COC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zane, HK; Naka, H; Rosconi, F; Sandy, M; Haygood, MG; Butler, A Biosynthesis of amphi-enterobactin siderophores by Vibrio harveyi BAA-1116: identification of a bifunctional nonribosomal peptide synthetase condensation domain. Journal of the American Chemical Society 2014 136 (15) 5615-5618. | ||
|---|---|---|---|
| DOI | 10.1021/ja5019942 | PMID | 24701966 |
