Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019024
PROPERTIES
| NPAID | NPA019024 |
|---|---|
| CLUSTER ID | 464 |
| NODE ID | 141 |
| NAME | Bacitracin D2 |
| FORMULA | C64H99N17O16S |
| MOLECULAR WEIGHT (Da) | 1394.6660 |
| ACCURATE MASS (Da) | 1393.7176 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. SNA-60-367 |
| InChIKey | GBUWLRGHLVTJRE-NXISNYNLSA-N |
| InChI | InChI=1S/C64H99N17O16S/c1-9-35(8)52-63(97)78-42(25-36-16-11-10-12-17-36)57(91)75-43(26-37-29-68-31-70-37)58(92)77-45(28-49(85)86)60(94)76-44(27-47(66)82)59(93)72-38(53(87)71-39(19-15-22-65)54(88)81-52)18-13-14-23-69-62(96)51(34(6)7)80-55(89)40(20-21-48(83)84)73-56(90)41(24-32(2)3)74-61(95)46-30-98-64(79-46)50(67)33(4)5/h10-12,16-17,29,31-35,38-46,50-52H,9,13-15,18-28,30,65,67H2,1-8H3,(H2,66,82)(H,68,70)(H,69,96)(H,71,87)(H,72,93)(H,73,90)(H,74,95)(H,75,91)(H,76,94)(H,77,92)(H,78,97)(H,80,89)(H,81,88)(H,83,84)(H,85,86)/t35-,38-,39+,40+,41-,42+,43-,44-,45+,46-,50-,51-,52-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CCCN)CCCCNC(=O)[C@H](C(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@H](C(C)C)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ikai; Oka; Hayakawa; Matsumoto; Saito; Harada -i.; Mayumi; Suzuki Total structures and antimicrobial activity of bacitracin minor components Journal of Antibiotics 1995 48 (3) 233-242. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.48.233 | PMID | 7730158 |
