Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024044
PROPERTIES
| NPAID | NPA024044 |
|---|---|
| CLUSTER ID | 1167 |
| NODE ID | 141 |
| NAME | Subterisin |
| FORMULA | C78H121N21O22 |
| MOLECULAR WEIGHT (Da) | 1704.9510 |
| ACCURATE MASS (Da) | 1703.8995 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Sphingomonas |
| ORIGIN SPECIES | subterranea NBRC 16086T |
| InChIKey | FUHIJKMLJFMUPU-HYFOAOAQSA-N |
| InChI | InChI=1S/C78H121N21O22/c1-10-43(8)64-75(119)91-48(25-27-57(101)83-38-60(104)97-29-17-23-55(97)77(121)99-31-16-22-54(99)72(116)85-36-58(102)88-51(35-61(105)106)71(115)90-46(69(113)96-64)20-14-28-82-78(80)81)67(111)92-50(34-45-18-12-11-13-19-45)66(110)84-37-59(103)95-63(42(6)7)74(118)93-49(32-40(2)3)70(114)87-44(9)65(109)89-47(24-26-56(79)100)68(112)94-52(33-41(4)5)76(120)98-30-15-21-53(98)73(117)86-39-62(107)108/h11-13,18-19,40-44,46-55,63-64H,10,14-17,20-39H2,1-9H3,(H2,79,100)(H,83,101)(H,84,110)(H,85,116)(H,86,117)(H,87,114)(H,88,102)(H,89,109)(H,90,115)(H,91,119)(H,92,111)(H,93,118)(H,94,112)(H,95,103)(H,96,113)(H,105,106)(H,107,108)(H4,80,81,82)/t43-,44-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,63-,64-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CNC(=O)CC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)O)C(C)C)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kuroha, Mai; Hemmi, Hikaru; Ohnishi-Kameyama, Mayumi; Kodani, Shinya Isolation and structure determination of a new lasso peptide subterisin from Sphingomonas subterranea Tetrahedron Letters 2017 58 (35) 3429-3432. | ||
|---|---|---|---|
| DOI | 10.1016/j.tetlet.2017.07.064 | PMID | - |
