input word = C00016099

Metabolite InformationStructural formula
Name 3874H1
Antibiotic 3874H1
Formula C58H86N2O18
Mw 1098.58756396
CAS RN 204858-12-8
C_ID C00016099 ,
InChIKey FNCPECYULVHYCJ-XZJQEAEVNA-N
InChICode InChI=1S/C58H86N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)29-43(64)27-40(61)18-16-19-41(62)28-44(65)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40-46,48-49,51-55,57,61-66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)/b5-4+,8-6+,9-7+,12-10+,13-11+,17-14+,20-15+/t35-,36+,37-,40-,41-,42+,43-,44+,45-,46+,48+,49+,51-,52-,53+,54+,55+,57+,58+/m1/s1
SMILES CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)CC(O)CCCC(O)CC(O)CC(=O)OC1C(C)CCC(O)CC(=O)c1ccc(N)cc1)CC(O)C2C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. HAG 003874 Ref.
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OrganismStreptomyces sp. HAG 003874
ReferenceVertesy,J.Antibiotics 51,(1998),921