Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020377
PROPERTIES
| NPAID | NPA020377 |
|---|---|
| CLUSTER ID | 1422 |
| NODE ID | 1182 |
| NAME | A-40926 PA |
| FORMULA | C84H88Cl2N8O30 |
| MOLECULAR WEIGHT (Da) | 1760.5600 |
| ACCURATE MASS (Da) | 1758.4983 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomadura |
| ORIGIN SPECIES | sp. ATCC 39727 |
| InChIKey | CMVFPHOGXNUXOA-QJUPOUOUSA-N |
| InChI | InChI=1S/C84H88Cl2N8O30/c1-4-5-6-7-8-9-10-11-12-57(100)89-66-69(103)71(105)74(82(115)116)124-83(66)123-73-54-27-39-28-55(73)120-51-22-17-38(25-46(51)85)67(101)65-80(112)93-64(81(113)114)44-29-40(96)30-53(121-84-72(106)70(104)68(102)56(122-84)33-117-34(2)95)58(44)43-24-36(15-20-48(43)97)61(77(109)94-65)90-78(110)62(39)91-79(111)63-45-31-42(32-50(99)59(45)86)119-52-26-37(16-21-49(52)98)60(87-3)76(108)88-47(75(107)92-63)23-35-13-18-41(118-54)19-14-35/h13-22,24-32,47,56,60-72,74,83-84,87,96-99,101-106H,4-12,23,33H2,1-3H3,(H,88,108)(H,89,100)(H,90,110)(H,91,111)(H,92,107)(H,93,112)(H,94,109)(H,113,114)(H,115,116)/t47-,56-,60-,61-,62-,63+,64+,65+,66-,67-,68-,69-,70+,71+,72+,74+,83-,84+/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)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 |
