Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577856 | Gold | 3 |
COMPOUND NPA010453
PROPERTIES
| NPAID | NPA010453 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin 103 |
| FORMULA | C52H72N10O13 |
| MOLECULAR WEIGHT (Da) | 1045.2050 |
| ACCURATE MASS (Da) | 1044.5280 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | viridis (NIES-103) |
| InChIKey | VREBHIIBSKFJFH-OFPFXQEYSA-N |
| InChI | InChI=1S/C52H72N10O13/c1-7-8-10-19-40(65)55-27-41(66)58-44(29(4)63)48(70)60-45-30(5)75-52(74)43(28(2)3)59-47(69)37(25-32-26-54-34-18-14-13-17-33(32)34)61(6)51(73)38(24-31-15-11-9-12-16-31)62-42(67)23-21-36(50(62)72)57-46(68)35(56-49(45)71)20-22-39(53)64/h9,11-18,26,28-30,35-38,42-45,54,63,67H,7-8,10,19-25,27H2,1-6H3,(H2,53,64)(H,55,65)(H,56,71)(H,57,68)(H,58,66)(H,59,69)(H,60,70)/t29-,30-,35+,36+,37+,38+,42-,43+,44+,45+/m1/s1 |
| SMILES | CCCCCC(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCC(=O)N)O)CC3=CC=CC=C3)C)CC4=CNC5=CC=CC=C54)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Murakami, Masahiro; Kodani, Shinya; Ishida, Keishi; Matsuda, Hisashi; Yamaguchi, Katsumi Micropeptin 103, a chymotrypsin inhibitor from the cyanobacterium Microcystis viridis (NIES-103) Tetrahedron Letters 1997 38 (17) 3035-3038. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(97)00528-5 | PMID | - |
