Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020217
PROPERTIES
| NPAID | NPA020217 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Microbacterin A |
| FORMULA | C91H152N20O22 |
| MOLECULAR WEIGHT (Da) | 1878.3350 |
| ACCURATE MASS (Da) | 1877.1390 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microbacterium |
| ORIGIN SPECIES | sediminis sp. nov. YLB-01(T) |
| InChIKey | ZIWFEHAHHMAUGF-NOXNPAQRSA-N |
| InChI | InChI=1S/C91H152N20O22/c1-26-90(24,81(131)95-42-39-66(116)98-59(48-52(5)6)71(121)105-88(20,21)80(130)109-85(14,15)77(127)100-58(47-51(3)4)70(120)93-40-37-64(114)92-43-46-112)106-72(122)60(49-53(7)8)99-65(115)38-41-94-76(126)67(117)84(12,13)103-68(118)54(9)96-75(125)63-36-32-45-111(63)83(133)91(25,27-2)107-73(123)61(50-57-33-29-28-30-34-57)101-78(128)86(16,17)108-79(129)87(18,19)104-69(119)55(10)97-74(124)62-35-31-44-110(62)82(132)89(22,23)102-56(11)113/h28-30,33-34,51-55,58-63,67,112,117H,26-27,31-32,35-50H2,1-25H3,(H,92,114)(H,93,120)(H,94,126)(H,95,131)(H,96,125)(H,97,124)(H,98,116)(H,99,115)(H,100,127)(H,101,128)(H,102,113)(H,103,118)(H,104,119)(H,105,121)(H,106,122)(H,107,123)(H,108,129)(H,109,130)/t54-,55-,58-,59-,60-,61-,62-,63-,67-,90+,91+/m0/s1 |
| SMILES | CC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)[C@H](O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@](C)(CC)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)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 |
