Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014933
PROPERTIES
| NPAID | NPA014933 |
|---|---|
| CLUSTER ID | 464 |
| NODE ID | 141 |
| NAME | Bacitracin H2 |
| FORMULA | C65H96N16O17S |
| MOLECULAR WEIGHT (Da) | 1405.6450 |
| ACCURATE MASS (Da) | 1404.6860 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. SNA-60-367 |
| InChIKey | YGTICOPETLIWNI-XMMRDIHPSA-N |
| InChI | InChI=1S/C65H96N16O17S/c1-9-35(7)52(81-56(90)41(21-22-49(83)84)73-57(91)42(25-33(3)4)74-62(96)47-31-99-65(79-47)53(87)36(8)10-2)63(97)69-24-15-14-19-39-54(88)71-40(20-16-23-66)55(89)80-51(34(5)6)64(98)78-43(26-37-17-12-11-13-18-37)58(92)75-44(27-38-30-68-32-70-38)59(93)77-46(29-50(85)86)61(95)76-45(28-48(67)82)60(94)72-39/h11-13,17-18,30-36,39-46,51-52H,9-10,14-16,19-29,66H2,1-8H3,(H2,67,82)(H,68,70)(H,69,97)(H,71,88)(H,72,94)(H,73,91)(H,74,96)(H,75,92)(H,76,95)(H,77,93)(H,78,98)(H,80,89)(H,81,90)(H,83,84)(H,85,86)/t35-,36-,39-,40+,41+,42-,43+,44-,45-,46+,51-,52-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)NCCCC[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)CC(=O)N)CC(=O)O)CC2=CN=CN2)CC3=CC=CC=C3)C(C)C)CCCN)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C4=CSC(=N4)C(=O)[C@@H](C)CC |
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 |
