Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020375
PROPERTIES
| NPAID | NPA020375 |
|---|---|
| CLUSTER ID | 1422 |
| NODE ID | 1182 |
| NAME | A-40926 A |
| FORMULA | C82H86Cl2N8O29 |
| MOLECULAR WEIGHT (Da) | 1718.5230 |
| ACCURATE MASS (Da) | 1716.4878 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomadura |
| ORIGIN SPECIES | sp. ATCC 39727 |
| InChIKey | KFFFTRROFFANLL-PKPPEPSOSA-N |
| InChI | InChI=1S/C82H86Cl2N8O29/c1-3-4-5-6-7-8-9-10-11-55(98)87-64-67(101)69(103)72(80(113)114)121-81(64)120-71-52-26-37-27-53(71)117-49-21-16-36(24-44(49)83)65(99)63-78(110)91-62(79(111)112)42-28-38(94)29-51(118-82-70(104)68(102)66(100)54(32-93)119-82)56(42)41-23-34(14-19-46(41)95)59(75(107)92-63)88-76(108)60(37)89-77(109)61-43-30-40(31-48(97)57(43)84)116-50-25-35(15-20-47(50)96)58(85-2)74(106)86-45(73(105)90-61)22-33-12-17-39(115-52)18-13-33/h12-21,23-31,45,54,58-70,72,81-82,85,93-97,99-104H,3-11,22,32H2,1-2H3,(H,86,106)(H,87,98)(H,88,108)(H,89,109)(H,90,105)(H,91,110)(H,92,107)(H,111,112)(H,113,114)/t45-,54-,58-,59-,60-,61+,62+,63+,64-,65-,66-,67-,68+,69+,70+,72+,81-,82+/m1/s1 |
| SMILES | CCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=CC(=CC(=C7C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9C1=CC(=CC(=C1Cl)O)OC1=C(C=CC(=C1)[C@H](C(=O)N[C@H](CC1=CC=C(O3)C=C1)C(=O)N9)NC)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)O)O)Cl)C(=O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Goldstein, BP; Selva, E; Gastaldo, L; Berti, M; Pallanza, R; Ripamonti, F; Ferrari, P; Denaro, M; Arioli, V; Cassani, G A40926, a new glycopeptide antibiotic with anti-Neisseria activity. Antimicrobial Agents and Chemotherapy 1961 31 (12) 1961-1966. | ||
|---|---|---|---|
| DOI | 10.1128/AAC.31.12.1961 | PMID | 2964225 |
