Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020355
PROPERTIES
| NPAID | NPA020355 |
|---|---|
| CLUSTER ID | 34 |
| NODE ID | 33 |
| NAME | Fuscachelin C |
| FORMULA | C42H62N16O16 |
| MOLECULAR WEIGHT (Da) | 1047.0540 |
| ACCURATE MASS (Da) | 1046.4530 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Thermobifida |
| ORIGIN SPECIES | fusca |
| InChIKey | MMPMJMJQRDAXEQ-QUMGSSFMSA-N |
| InChI | InChI=1S/C42H62N16O16/c43-35(68)23(54-31(64)18-50-29(62)16-52-38(71)24(8-3-13-48-41(44)45)56-36(69)21-6-1-11-27(60)33(21)66)10-5-15-58(74)40(73)26(20-59)55-32(65)19-51-30(63)17-53-39(72)25(9-4-14-49-42(46)47)57-37(70)22-7-2-12-28(61)34(22)67/h1-2,6-7,11-12,23-26,59-61,66-67,74H,3-5,8-10,13-20H2,(H2,43,68)(H,50,62)(H,51,63)(H,52,71)(H,53,72)(H,54,64)(H,55,65)(H,56,69)(H,57,70)(H4,44,45,48)(H4,46,47,49)/t23-,24+,25+,26-/m0/s1 |
| SMILES | C1=CC(=C(C(=C1)O)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCN(C(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)C2=C(C(=CC=C2)O)O)O)C(=O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Dimise EJ; Widboom PF; Bruner SD Structure elucidation and biosynthesis of fuscachelins, peptide siderophores from the moderate thermophile Thermobifida fusca. Proceedings of the National Academy of Sciences of the United States of America 2008 105 (40) 15311-15316. | ||
|---|---|---|---|
| DOI | 10.1073/pnas.0805451105 | PMID | 18832174 |
