Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003157
PROPERTIES
| NPAID | NPA003157 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | methyl-balhimycin |
| FORMULA | C67H75Cl2N9O24 |
| MOLECULAR WEIGHT (Da) | 1461.2820 |
| ACCURATE MASS (Da) | 1459.4302 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | sp. Y-86, 21022, DSM 5908 |
| InChIKey | YPJSKHDULIWZOJ-NLQYUEGISA-N |
| InChI | InChI=1S/C67H75Cl2N9O24/c1-24(2)13-36(78(5)6)60(90)76-50-52(84)27-8-11-39(33(68)15-27)98-41-17-29-18-42(57(41)102-66-55(87)54(86)53(85)43(23-79)100-66)99-40-12-9-28(16-34(40)69)56(101-45-22-67(4,71)58(88)25(3)97-45)51-64(94)75-49(65(95)96)32-19-30(80)20-38(82)46(32)31-14-26(7-10-37(31)81)47(61(91)77-51)74-62(92)48(29)73-59(89)35(21-44(70)83)72-63(50)93/h7-12,14-20,24-25,35-36,43,45,47-56,66,79-82,84-87H,13,21-23,71H2,1-6H3,(H2,70,83)(H,72,93)(H,73,89)(H,74,92)(H,75,94)(H,76,90)(H,77,91)(H,95,96)/t25-,35?,36+,43+,45-,47+,48+,49+,50+,51-,52+,53+,54-,55+,56+,66-,67-/m0/s1 |
| SMILES | C[C@H]1C(=O)[C@@](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@H](C4=CC(=CC(=C4C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C(C=C8)[C@H]([C@H](C(=O)NC(C(=O)N6)CC(=O)N)NC(=O)[C@@H](CC(C)C)N(C)C)O)Cl)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC1=C(C=C2C=C1)Cl)O)O)O)C(=O)O)(C)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Vértesy, L; Fehlhaber, H W; Kogler, H; Limbert, M New 4-oxovancosamine-containing glycopeptide antibiotics from Amycolatopsis sp. Y-86,21022 Journal of Antibiotics 1996 49 (1) 115-118. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.49.115 | PMID | 8609078 |
