Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001403
PROPERTIES
| NPAID | NPA001403 |
|---|---|
| CLUSTER ID | 920 |
| NODE ID | 141 |
| NAME | Glycinocin A |
| FORMULA | C57H90N12O19 |
| MOLECULAR WEIGHT (Da) | 1247.4120 |
| ACCURATE MASS (Da) | 1246.6445 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | JHAQMJWHVDTRJM-QCOCLPGKSA-N |
| InChI | InChI=1S/C57H90N12O19/c1-6-33(4)48-57(88)69-24-18-21-40(69)53(84)58-28-38(65-52(83)37(27-47(79)80)62-41(71)22-15-13-11-9-7-8-10-12-14-19-32(2)3)56(87)68-23-17-16-20-39(68)54(85)61-30-43(73)64-35(25-45(75)76)50(81)59-29-42(72)63-36(26-46(77)78)51(82)60-31-44(74)66-49(34(5)70)55(86)67-48/h15,22,32-40,48-49,70H,6-14,16-21,23-31H2,1-5H3,(H,58,84)(H,59,81)(H,60,82)(H,61,85)(H,62,71)(H,63,72)(H,64,73)(H,65,83)(H,66,74)(H,67,86)(H,75,76)(H,77,78)(H,79,80)/b22-15+/t33?,34?,35-,36-,37-,38-,39?,40-,48-,49+/m0/s1 |
| SMILES | CCC(C)[C@H]1C(=O)N2CCC[C@H]2C(=O)NC[C@@H](C(=O)N3CCCCC3C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N1)C(C)O)CC(=O)O)CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)/C=C/CCCCCCCCCC(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | KONG, FANGMING; CARTER, GUY T. Structure Determination of Glycinocins A to D, Further Evidence for the Cyclic Structure of the Amphomycin Antibiotics Journal of Antibiotics 2003 56 (6) 557-564. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.56.557 | PMID | 12931866 |
