Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033464
PROPERTIES
| NPAID | NPA033464 |
|---|---|
| CLUSTER ID | 9627 |
| NODE ID | 141 |
| NAME | Citrocin |
| FORMULA | C88H133N23O23 |
| MOLECULAR WEIGHT (Da) | 1881.1700 |
| ACCURATE MASS (Da) | 1879.9945 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Citrobacter |
| ORIGIN SPECIES | pasteurii |
| InChIKey | CNUGGUJSKKNENX-NCROSIFOSA-N |
| InChI | InChI=1S/C88H133N23O23/c1-11-49(8)74(85(132)97-41-66(117)94-40-65(116)96-43-70(121)108-73(48(6)7)84(131)99-45-68(119)102-59(33-35-92-88(90)91)79(126)104-60(77(124)100-46-71(122)123)37-53-23-27-55(112)28-24-53)109-82(129)62(36-52-20-16-14-17-21-52)106-81(128)61(38-54-25-29-56(113)30-26-54)105-78(125)58-31-32-63(114)93-39-64(115)95-42-69(120)107-72(47(4)5)83(130)98-44-67(118)101-57(22-18-15-19-34-89)80(127)110-76(51(10)13-3)87(134)111-75(50(9)12-2)86(133)103-58/h14,16-17,20-21,23-30,47-51,57-62,72-76,112-113H,11-13,15,18-19,22,31-46,89H2,1-10H3,(H,93,114)(H,94,117)(H,95,115)(H,96,116)(H,97,132)(H,98,130)(H,99,131)(H,100,124)(H,101,118)(H,102,119)(H,103,133)(H,104,126)(H,105,125)(H,106,128)(H,107,120)(H,108,121)(H,109,129)(H,110,127)(H,111,134)(H,122,123)(H4,90,91,92)/t49-,50?,51-,57?,58+,59+,60+,61+,62+,72+,73+,74+,75+,76?/m1/s1 |
| SMILES | CCC(C)[C@@H]1NC(=O)C([C@H](C)CC)NC(=O)C(CCCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)CC[C@@H](C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)NCC(=O)O)C(C)C)[C@H](C)CC)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cheung-Lee, Wai Ling; Parry, Madison E.; Cartagena, Alexis Jaramillo; Darst, Seth A.; James Link Discovery and structure of the antimicrobial lasso peptide citrocin Journal of Biological Chemistry 2019 294 (17) 6822-6830. | ||
|---|---|---|---|
| DOI | 10.1074/jbc.RA118.006494 | PMID | 30846564 |
