Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023277
PROPERTIES
| NPAID | NPA023277 |
|---|---|
| CLUSTER ID | 7013 |
| NODE ID | 4831 |
| NAME | Bacillibactin C |
| FORMULA | C26H30N4O13 |
| MOLECULAR WEIGHT (Da) | 606.5410 |
| ACCURATE MASS (Da) | 606.1809 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. PKU-MA00093 |
| InChIKey | PBBQVMAFTMEVMY-ZDEMKHDWSA-N |
| InChI | InChI=1S/C26H30N4O13/c1-11(31)19(29-17(34)9-27-23(38)13-5-3-7-15(32)21(13)36)26(42)43-12(2)20(25(40)41)30-18(35)10-28-24(39)14-6-4-8-16(33)22(14)37/h3-8,11-12,19-20,31-33,36-37H,9-10H2,1-2H3,(H,27,38)(H,28,39)(H,29,34)(H,30,35)(H,40,41)/t11-,12-,19+,20+/m1/s1 |
| SMILES | C[C@H]([C@@H](C(=O)O[C@H](C)[C@@H](C(=O)O)NC(=O)CNC(=O)C1=C(C(=CC=C1)O)O)NC(=O)CNC(=O)C2=C(C(=CC=C2)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhou, Mengjie; Liu, Fawang; Yang, Xiaoyan; Jin, Jing; Dong, Xin; Zeng, Ke-Wu; Liu, Dong; Zhang, Yingtao; Ma, Ming; Yang, Donghui Bacillibactin and bacillomycin analogues with cytotoxicities against human cancer cell lines from marine bacillus sp. PKU-MA00093 and PKU-MA00092 Marine Drugs 2018 16 (1) None. | ||
|---|---|---|---|
| DOI | 10.3390/md16010022 | PMID | 29320403 |
