input word = C00018680

Metabolite InformationStructural formula
Name Antibiotic PA 114B
Antibiotic PA 114B1
Mikamycin B
Mikamycin IA
NSC 92554
PA 114B
Streptogramin B
Vernamycin Balpha
Formula C45H54N8O10
Mw 866.39629
CAS RN 3131-03-1
C_ID C00018680 ,
InChIKey YGXCETJZBDTKRY-UHFFFAOYNA-N
InChICode InChI=1S/C45H54N8O10/c1-6-31-42(59)52-22-11-14-32(52)43(60)51(5)34(24-27-16-18-29(19-17-27)50(3)4)44(61)53-23-20-30(54)25-33(53)39(56)49-37(28-12-8-7-9-13-28)45(62)63-26(2)36(40(57)47-31)48-41(58)38-35(55)15-10-21-46-38/h7-10,12-13,15-19,21,26,31-34,36-37,55H,6,11,14,20,22-25H2,1-5H3,(H,47,57)(H,48,58)(H,49,56)/t26-,31+,32+,33+,34-,36+,37+/m1/s1
SMILES C1C(=O)C[C@@H]2N(C1)C(=O)[C@H](N(C(=O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@@H](NC2=O)c2ccccc2)C)NC(=O)c2c(cccn2)O)CC)CCC1)C)Cc1ccc(cc1)N(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces mitakaensis Ref.
zoom in