Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003406
PROPERTIES
| NPAID | NPA003406 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | A90720A |
| FORMULA | C45H72N10O16S |
| MOLECULAR WEIGHT (Da) | 1041.1920 |
| ACCURATE MASS (Da) | 1040.4848 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | alga Microchaete loktakensis |
| InChIKey | VVBXXVAFSPEIJQ-CNCNYOROSA-N |
| InChI | InChI=1S/C45H72N10O16S/c1-22(2)18-30(51-40(62)33(57)21-70-72(67,68)69)38(60)53-36-25(7)71-44(66)35(24(5)6)52-39(61)31(20-26-11-13-27(56)14-12-26)54(8)43(65)32(19-23(3)4)55-34(58)16-15-29(42(55)64)50-37(59)28(49-41(36)63)10-9-17-48-45(46)47/h11-14,22-25,28-36,56-58H,9-10,15-21H2,1-8H3,(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,60)(H4,46,47,48)(H,67,68,69)/t25-,28+,29+,30-,31+,32+,33-,34-,35+,36+/m1/s1 |
| SMILES | C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O1)C(C)C)CC3=CC=C(C=C3)O)C)CC(C)C)O)CCCN=C(N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](COS(=O)(=O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bonjouklian, Rosanne; Smitka, Tim A.; Hunt, Ann H.; Occolowitz, John L.; Perun, Thomas J.; Doolin, Lawrence; Stevenson, Stephanie; Knauss, Lisa; Wijayaratne, Ranmali; Szewczyk, Stanley; Patterson, Gregory M.L. A90720A, a serine protease inhibitor isolated from a terrestrial blue-green alga Microchaete loktakensis Tetrahedron 1996 52 (2) 395-404. | ||
|---|---|---|---|
| DOI | 10.1016/0040-4020(95)00857-8 | PMID | - |
