Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005716857 | Gold | 3 |
| CCMSLIB00005716858 | Gold | 3 |
COMPOUND NPA028320
PROPERTIES
| NPAID | NPA028320 |
|---|---|
| CLUSTER ID | 1167 |
| NODE ID | 141 |
| NAME | Sphaericin |
| FORMULA | C110H146N24O22 |
| MOLECULAR WEIGHT (Da) | 2156.5240 |
| ACCURATE MASS (Da) | 2155.1044 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Planomonospora |
| ORIGIN SPECIES | sphaerica |
| InChIKey | LWGFCRLDHIFNQK-OTDJLLNESA-N |
| InChI | InChI=1S/C110H146N24O22/c1-9-61(6)92-104(150)119-58-91(140)121-80(51-67-54-115-74-31-19-16-28-71(67)74)99(145)126-81(52-68-55-116-75-32-20-17-29-72(68)75)100(146)129-93(62(7)10-2)105(151)123-76(41-42-88(137)117-56-89(138)122-82(47-60(4)5)107(153)133-45-23-35-86(133)102(148)130-92)96(142)124-77(33-21-43-113-110(111)112)106(152)132-44-22-34-85(132)101(147)128-84(59-135)95(141)118-57-90(139)120-79(50-66-53-114-73-30-18-15-27-70(66)73)98(144)125-78(48-65-37-39-69(136)40-38-65)97(143)127-83(49-64-25-13-12-14-26-64)108(154)134-46-24-36-87(134)103(149)131-94(109(155)156)63(8)11-3/h12-20,25-32,37-40,53-55,60-63,76-87,92-94,114-116,135-136H,9-11,21-24,33-36,41-52,56-59H2,1-8H3,(H,117,137)(H,118,141)(H,119,150)(H,120,139)(H,121,140)(H,122,138)(H,123,151)(H,124,142)(H,125,144)(H,126,145)(H,127,143)(H,128,147)(H,129,146)(H,130,148)(H,131,149)(H,155,156)(H4,111,112,113)/t61-,62-,63-,76-,77+,78-,79+,80+,81-,82+,83+,84+,85?,86?,87?,92+,93+,94+/m1/s1 |
| SMILES | CC[C@@H](C)[C@H](NC(=O)C1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)CNC(=O)[C@H](CO)NC(=O)C1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N2CCCC2C(=O)N[C@@H]([C@H](C)CC)C(=O)NCC(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H]([C@H](C)CC)C(=O)N1)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kodani S;Inoue Y;Suzuki M;Dohra H;Suzuki T;Hemmi H;Ohnishi-Kameyama M Sphaericin, a Lasso Peptide from the Rare Actinomycete Planomonospora sphaerica European Journal of Organic Chemistry 2017 2017 (8) 1177-1183. | ||
|---|---|---|---|
| DOI | 10.1002/ejoc.201601334 | PMID | - |
