input word = C00040733

Metabolite InformationStructural formula
Name Zorbamycin
Formula C55H85N19O21S2
Mw 1411.56088238
CAS RN 11056-20-5
C_ID C00040733 ,
InChIKey UJKRUPHWCPAJIL-LBKQACIRNA-N
InChICode InChI=1S/C55H85N19O21S2/c1-19-32(71-45(74-43(19)60)24(12-30(59)77)66-13-22(56)44(61)83)48(86)72-33(39(25-14-63-18-67-25)93-53-41(37(81)35(79)21(3)91-53)94-52-38(82)40(95-54(62)89)36(80)28(15-76)92-52)49(87)69-23(8-11-75)34(78)20(2)46(84)73-42(55(4,5)90)50(88)65-10-7-31-68-27(17-96-31)51-70-26(16-97-51)47(85)64-9-6-29(57)58/h14,16,18,20-24,27-28,33-42,52-53,66,75-76,78-82,90H,6-13,15,17,56H2,1-5H3,(H3,57,58)(H2,59,77)(H2,61,83)(H2,62,89)(H,63,67)(H,64,85)(H,65,88)(H,69,87)(H,72,86)(H,73,84)(H2,60,71,74)/t20-,21-,22-,23+,24-,27+,28+,33-,34-,35+,36+,37-,38+,39-,40-,41-,42+,52+,53+/m0/s1
SMILES O1[C@@H]([C@H]([C@H]([C@@H]([C@@H]1C)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC(=O)N)O)O[C@@H](c1nc[nH]c1)[C@@H](C(=O)N[C@H](CCO)[C@H]([C@H](C)C(=O)N[C@@H](C(C)(O)C)C(=O)NCCC1=N[C@H](CS1)c1scc(n1)C(=O)NCCC(=N)N)O)NC(=O)c1nc(nc(c1C)N)[C@@H](NC[C@H](N)C(=O)N)CC(=O)N
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-His
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces flavoviridis ATCC 21892 Ref.
zoom in



OrganismStreptomyces flavoviridis ATCC 21892
ReferenceWang,J.Nat.Prod.,70,(2007),402