Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032898
PROPERTIES
| NPAID | NPA032898 |
|---|---|
| CLUSTER ID | 2347 |
| NODE ID | 141 |
| NAME | Microviridin N9 |
| FORMULA | C106H148N24O33 |
| MOLECULAR WEIGHT (Da) | 2286.4850 |
| ACCURATE MASS (Da) | 2285.0641 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | punctiforme PCC73102 |
| InChIKey | WURHYYVGSNJERR-FXIZTZTPSA-N |
| InChI | InChI=1S/C106H148N24O33/c1-50(2)41-70-94(149)115-67-34-37-81(140)162-49-75-99(154)122-74(97(152)120-70)46-82(141)163-55(8)86(103(158)124-71(43-57-28-30-59(133)31-29-57)95(150)114-64(91(146)119-69(42-56-19-10-9-11-20-56)87(142)61-22-16-23-62(61)89(144)125-75)25-14-15-38-110-77(134)45-73(121-92(67)147)96(151)118-68(105(160)161)26-17-39-111-106(108)109)129-98(153)72(44-58-47-112-63-24-13-12-21-60(58)63)123-100(155)76-27-18-40-130(76)104(159)83(51(3)4)127-93(148)66(33-36-80(138)139)117-101(156)84(53(6)131)126-78(135)48-113-90(145)65(32-35-79(136)137)116-102(157)85(54(7)132)128-88(143)52(5)107/h9-13,19-21,24,28-31,47,50-55,61-62,64-76,83-86,112,131-133H,14-18,22-23,25-27,32-46,48-49,107H2,1-8H3,(H,110,134)(H,113,145)(H,114,150)(H,115,149)(H,116,157)(H,117,156)(H,118,151)(H,119,146)(H,120,152)(H,121,147)(H,122,154)(H,123,155)(H,124,158)(H,125,144)(H,126,135)(H,127,148)(H,128,143)(H,129,153)(H,136,137)(H,138,139)(H,160,161)(H4,108,109,111)/t52-,53+,54+,55+,61?,62+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,83-,84-,85-,86-/m0/s1 |
| SMILES | CC(C)C[C@@H]1NC(=O)[C@@H]2CC(=O)O[C@H](C)[C@H](NC(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@H]3CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCC(=O)OC[C@H](NC(=O)[C@@H]4CCCC4C(=O)[C@H](CC4=CC=CC=C4)NC3=O)C(=O)N2)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Dehm, Daniel; Krumbholz, Julia; Baunach, Martin; Wiebach, Vincent; Hinrichs, Katrin; Guljamow, Arthur; Tabuchi, Takeshi; Jenke-Kodama, Holger; Süssmuth, Roderich D.; Dittmann, Elke Unlocking the Spatial Control of Secondary Metabolism Uncovers Hidden Natural Product Diversity in Nostoc punctiforme ACS Chemical Biology 2019 14 (6) 1271-1279. | ||
|---|---|---|---|
| DOI | 10.1021/acschembio.9b00240 | PMID | 31091070 |
