Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020657
PROPERTIES
| NPAID | NPA020657 |
|---|---|
| CLUSTER ID | 1422 |
| NODE ID | 1182 |
| NAME | MM 55266 |
| FORMULA | C86H89Cl5N8O35 |
| MOLECULAR WEIGHT (Da) | 1971.9440 |
| ACCURATE MASS (Da) | 1968.3873 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | sp. NCIB 40089 |
| InChIKey | KAEGQLAGEKEXIX-ONLGDKFQSA-N |
| InChI | InChI=1S/C86H89Cl5N8O35/c1-27(2)7-5-4-6-8-51(106)93-60-65(110)68(113)75(83(124)125)134-84(60)131-71-32-16-40(89)73(41(90)17-32)128-48-20-31-19-47(74(48)133-86-70(115)67(112)64(109)50(26-101)130-86)127-45-12-10-29(14-38(45)87)62(107)59-80(120)96-57(37-23-34(24-44(105)53(37)91)126-46-18-28(9-11-42(46)103)54(92-3)76(116)98-59)79(119)95-56(31)77(117)94-55-30-13-36(72(39(88)15-30)132-85-69(114)66(111)63(108)49(25-100)129-85)52-35(21-33(102)22-43(52)104)58(82(122)123)97-81(121)61(71)99-78(55)118/h9-24,27,49-50,54-71,75,84-86,92,100-105,107-115H,4-8,25-26H2,1-3H3,(H,93,106)(H,94,117)(H,95,119)(H,96,120)(H,97,121)(H,98,116)(H,99,118)(H,122,123)(H,124,125)/t49-,50+,54+,55-,56+,57+,58+,59+,60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,75-,84-,85-,86-/m1/s1 |
| SMILES | CC(C)CCCCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H](O[C@H]1O[C@H]2[C@H]3C(=O)N[C@@H](C4=CC(=CC(=C4C5=CC(=CC(=C5O[C@@H]6[C@@H]([C@@H]([C@H]([C@H](O6)CO)O)O)O)Cl)[C@H](C(=O)N3)NC(=O)[C@@H]7C8=CC(=C(C(=C8)OC9=C(C=C2C=C9Cl)Cl)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)OC1=C(C=C(C=C1)[C@H]([C@H]1C(=O)N[C@@H](C2=CC(=CC(=C2Cl)O)OC2=C(C=CC(=C2)[C@@H](C(=O)N1)NC)O)C(=O)N7)O)Cl)O)O)C(=O)O)C(=O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Box SJ; Coates NJ; Davis CJ; Gilpin ML; Houge-Frydrych CS; Milner PH MM 55266 and MM 55268, glycopeptide antibiotics produced by a new strain of Amycolatopsis. Isolation, purification and structure determination. Journal of Antibiotics 1991 44 (8) 807-813. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.44.807 | PMID | 1917694 |
