Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020218
PROPERTIES
| NPAID | NPA020218 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Microbacterin B |
| FORMULA | C90H150N20O22 |
| MOLECULAR WEIGHT (Da) | 1864.3080 |
| ACCURATE MASS (Da) | 1863.1234 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microbacterium |
| ORIGIN SPECIES | sediminis sp. nov. YLB-01(T) |
| InChIKey | HWHOMWZHIGCMHZ-YUGPPKNGSA-N |
| InChI | InChI=1S/C90H150N20O22/c1-26-90(25,106-72(122)60(49-56-32-28-27-29-33-56)100-78(128)86(17,18)107-79(129)87(19,20)103-68(118)54(9)96-73(123)61-34-30-43-109(61)81(131)89(23,24)101-55(10)112)82(132)110-44-31-35-62(110)74(124)95-53(8)67(117)102-83(11,12)66(116)75(125)93-40-37-64(114)97-58(47-51(4)5)70(120)104-84(13,14)76(126)94-41-38-65(115)98-59(48-52(6)7)71(121)105-88(21,22)80(130)108-85(15,16)77(127)99-57(46-50(2)3)69(119)92-39-36-63(113)91-42-45-111/h27-29,32-33,50-54,57-62,66,111,116H,26,30-31,34-49H2,1-25H3,(H,91,113)(H,92,119)(H,93,125)(H,94,126)(H,95,124)(H,96,123)(H,97,114)(H,98,115)(H,99,127)(H,100,128)(H,101,112)(H,102,117)(H,103,118)(H,104,120)(H,105,121)(H,106,122)(H,107,129)(H,108,130)/t53-,54-,57-,58-,59-,60-,61-,62-,66-,90+/m0/s1 |
| SMILES | CC[C@@](C)(NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)NCCO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Dong; Lin, Hong; Proksch, Peter; Tang, Xixiang; Shao, Zhongze; Lin, Wenhan Microbacterins A and B, new peptaibols from the deep sea actinomycete microbacterium sediminis sp. nov. YLB-01(T) Organic Letters 2015 17 (5) 1220-1223. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.5b00172 | PMID | 25675340 |
