Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012930
PROPERTIES
| NPAID | NPA012930 |
|---|---|
| CLUSTER ID | 2836 |
| NODE ID | 2187 |
| NAME | Not named |
| FORMULA | C52H98N16O13 |
| MOLECULAR WEIGHT (Da) | 1155.4550 |
| ACCURATE MASS (Da) | 1154.7499 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | polymyxa |
| InChIKey | XTCWWIBVCPEGJS-DSGRVOGGSA-N |
| InChI | InChI=1S/C52H98N16O13/c1-9-29(6)12-10-11-13-39(71)59-32(14-20-53)47(76)68-42(31(8)70)52(81)64-35(17-23-56)44(73)62-37-19-25-58-50(79)41(30(7)69)67-48(77)36(18-24-57)61-43(72)34(16-22-55)63-51(80)40(28(4)5)66-49(78)38(26-27(2)3)65-45(74)33(15-21-54)60-46(37)75/h27-38,40-42,69-70H,9-26,53-57H2,1-8H3,(H,58,79)(H,59,71)(H,60,75)(H,61,72)(H,62,73)(H,63,80)(H,64,81)(H,65,74)(H,66,78)(H,67,77)(H,68,76)/t29-,30?,31?,32?,33?,34?,35?,36?,37?,38?,40?,41?,42?/m0/s1 |
| SMILES | CC[C@H](C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)C(C)C)CCN)CCN)C(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | IKAI, YOSHITOMO; OKA, HISAO; HAYAKAWA, JUNKO; KAWAMURA, NORIHISA; MAYUMI, TSUYOSHI; SUZUKI, MAKOTO; HARADA, KEN-ICHI Total Structures of Colistin Minor Components Journal of Antibiotics 1998 51 (5) 492-498. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.51.492 | PMID | 9666178 |
