Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020388
PROPERTIES
| NPAID | NPA020388 |
|---|---|
| CLUSTER ID | 34 |
| NODE ID | 33 |
| NAME | Turnerbactin |
| FORMULA | C45H59N9O19 |
| MOLECULAR WEIGHT (Da) | 1030.0110 |
| ACCURATE MASS (Da) | 1029.3927 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Teredinibacter |
| ORIGIN SPECIES | turnerae T7901 |
| InChIKey | OJOBFUKLEWNEOR-WPMUBMLPSA-N |
| InChI | InChI=1S/C45H59N9O19/c46-16-4-10-25(49-37(62)22-7-1-13-31(56)34(22)59)40(65)52-28(19-55)44(70)73-21-30(54-42(67)27(12-6-18-48)51-39(64)24-9-3-15-33(58)36(24)61)45(71)72-20-29(43(68)69)53-41(66)26(11-5-17-47)50-38(63)23-8-2-14-32(57)35(23)60/h1-3,7-9,13-15,25-30,55-61H,4-6,10-12,16-21,46-48H2,(H,49,62)(H,50,63)(H,51,64)(H,52,65)(H,53,66)(H,54,67)(H,68,69)/t25-,26-,27-,28-,29-,30-/m0/s1 |
| SMILES | C1=CC(=C(C(=C1)O)O)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)OC[C@@H](C(=O)O)NC(=O)[C@H](CCCN)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)[C@H](CCCN)NC(=O)C3=C(C(=CC=C3)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Han AW; Sandy M; Fishman B; Trindade-Silva AE; Soares CA; Distel DL; Butler A; Haygood MG Turnerbactin, a novel triscatecholate siderophore from the shipworm endosymbiont Teredinibacter turnerae T7901. PLoS One 2013 8 (10) e76151. | ||
|---|---|---|---|
| DOI | 10.1371/journal.pone.0076151 | PMID | 24146831 |
