input word = C00014909

Metabolite InformationStructural formula
Name Antibiotic 1100-50
Formula C31H56N6O15P2
Mw 814.32788815
CAS RN 393085-59-1
C_ID C00014909 ,
InChIKey ZGMYPWZCTZCWMY-UHFFFAOYNA-N
InChICode InChI=1S/C31H56N6O15P2/c1-19(2)12-10-8-6-4-3-5-7-9-11-14-34-52-54(47,48)37(16-23(33)39)53(45,46)51-29-26(42)24(40)20(17-38)28(29)49-18-21-25(41)27(43)30(50-21)36-15-13-22(32)35-31(36)44/h13,15,19,21,24-27,29-30,34,38,40-43H,3-12,14,16-18H2,1-2H3,(H2,33,39)(H,45,46)(H,47,48)(H2,32,35,44)/t21-,24+,25+,26+,27+,29-,30+/m0/s1
SMILES CC(C)CCCCCCCCCCCNOP(=O)(O)N(CC(N)=O)P(=O)(O)OC1C(OCC2OC(n3ccc(N)nc3=O)C(O)C2O)=C(CO)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces lavendulae SANK 64297 Ref.
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