Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020828
PROPERTIES
| NPAID | NPA020828 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | Actinoidin A2 |
| FORMULA | C84H93ClN8O33 |
| MOLECULAR WEIGHT (Da) | 1778.1440 |
| ACCURATE MASS (Da) | 1776.5534 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nocardia |
| ORIGIN SPECIES | sp. SK&F-AAJ-193 |
| InChIKey | GLOPOTSIJYIVFQ-PJXXSDKKSA-N |
| InChI | InChI=1S/C84H93ClN8O33/c1-31-62(99)66(103)69(106)82(118-31)126-74-68(105)65(102)53(30-95)123-84(74)125-73-50-24-38-25-51(73)120-48-20-14-37(23-44(48)85)72(124-54-28-45(86)71(116-3)32(2)117-54)61-80(113)91-59(81(114)115)43-26-40(97)27-49(121-83-70(107)67(104)64(101)52(29-94)122-83)55(43)42-22-36(13-19-47(42)98)57(77(110)93-61)90-78(111)58(38)89-75(108)46(21-33-7-5-4-6-8-33)88-79(112)60(63(100)35-11-17-41(119-50)18-12-35)92-76(109)56(87)34-9-15-39(96)16-10-34/h4-20,22-27,31-32,45-46,52-54,56-72,74,82-84,94-107H,21,28-30,86-87H2,1-3H3,(H,88,112)(H,89,108)(H,90,111)(H,91,113)(H,92,109)(H,93,110)(H,114,115)/t31-,32+,45+,46+,52-,53+,54-,56+,57+,58-,59+,60-,61?,62+,63-,64-,65-,66-,67+,68+,69-,70+,71+,72+,74-,82+,83+,84+/m1/s1 |
| SMILES | C[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@@H](C7C(=O)N[C@@H](C8=CC(=CC(=C8C9=C(C=CC(=C9)[C@@H](C(=O)N7)NC(=O)[C@@H]5NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C1=CC=C(O4)C=C1)O)NC(=O)[C@H](C1=CC=C(C=C1)O)N)CC1=CC=CC=C1)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)O)O[C@@H]1C[C@@H]([C@H]([C@@H](O1)C)OC)N)Cl)CO)O)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Dingerdissen JJ; Sitrin RD; DePhillips PA; Giovenella AJ; Grappel SF; Mehta RJ; Oh YK; Pan CH; Roberts GD; Shearer MC ACTINOIDIN A2, A NOVEL GLYCOPEPTIDE: PRODUCTION, PREPARATIVE HPLC SEPARATION AND CHARACTERIZATION Journal of Antibiotics 1987 40 (2) 165-172. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.40.165 | PMID | 3570965 |
