input word = C00027949

Metabolite InformationStructural formula
Name Bleomycin A5
Pingyangmycin A5
Zhengguangmycin A5
Formula C57H89N19O21S2
Mw 1439.59218251
CAS RN 11116-32-8
C_ID C00027949 ,
InChIKey QYOAUOAXCQAEMW-UHFFFAOYNA-N
InChICode InChI=1S/C57H89N19O21S2/c1-22-35(73-48(76-46(22)61)27(14-33(60)80)68-15-26(59)47(62)86)52(90)75-37(43(28-16-65-21-69-28)95-56-45(41(84)39(82)31(17-77)94-56)96-55-42(85)44(97-57(63)92)40(83)32(18-78)93-55)53(91)70-24(3)38(81)23(2)49(87)74-36(25(4)79)51(89)67-13-8-34-71-30(20-98-34)54-72-29(19-99-54)50(88)66-12-7-11-64-10-6-5-9-58/h16,19-21,23-27,31-32,36-45,55-56,64,68,77-79,81-85H,5-15,17-18,58-59H2,1-4H3,(H2,60,80)(H2,62,86)(H2,63,92)(H,65,69)(H,66,88)(H,67,89)(H,70,91)(H,74,87)(H,75,90)(H2,61,73,76)/t23-,24+,25-,26+,27-,31+,32+,36+,37+,38-,39-,40+,41-,42+,43+,44-,45+,55-,56+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[C@@H]([C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@@H](C(=O)NCCc1scc(n1)c1scc(n1)C(=O)NCCCNCCCCN)[C@H](C)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](N)C(=O)N)c1[nH]cnc1)CO)O)O)O)OC(=O)N)O)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Lys
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces verticillus Ref.
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