Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020378
PROPERTIES
| NPAID | NPA020378 |
|---|---|
| CLUSTER ID | 1422 |
| NODE ID | 1182 |
| NAME | A-40926 PB |
| FORMULA | C85H90Cl2N8O30 |
| MOLECULAR WEIGHT (Da) | 1774.5870 |
| ACCURATE MASS (Da) | 1772.5140 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomadura |
| ORIGIN SPECIES | sp. ATCC 39727 |
| InChIKey | RUZXTUGXTHXXHX-KQPWHZEWSA-N |
| InChI | InChI=1S/C85H90Cl2N8O30/c1-34(2)11-9-7-5-6-8-10-12-58(101)90-67-70(104)72(106)75(83(116)117)125-84(67)124-74-55-27-40-28-56(74)121-52-22-17-39(25-47(52)86)68(102)66-81(113)94-65(82(114)115)45-29-41(97)30-54(122-85-73(107)71(105)69(103)57(123-85)33-118-35(3)96)59(45)44-24-37(15-20-49(44)98)62(78(110)95-66)91-79(111)63(40)92-80(112)64-46-31-43(32-51(100)60(46)87)120-53-26-38(16-21-50(53)99)61(88-4)77(109)89-48(76(108)93-64)23-36-13-18-42(119-55)19-14-36/h13-22,24-32,34,48,57,61-73,75,84-85,88,97-100,102-107H,5-12,23,33H2,1-4H3,(H,89,109)(H,90,101)(H,91,111)(H,92,112)(H,93,108)(H,94,113)(H,95,110)(H,114,115)(H,116,117)/t48-,57-,61-,62-,63-,64+,65+,66+,67-,68-,69-,70-,71+,72+,73+,75+,84-,85+/m1/s1 |
| SMILES | CC(C)CCCCCCCCC(=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)COC(=O)C)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 |
