input word = C00018738

Metabolite InformationStructural formula
Name Bleogin
Bleomycin A2
Pingyangmycin A2
Zhengguangmycin A2
Formula C55H84N17O21S3
Mw 1414.51898006
CAS RN 11116-31-7
C_ID C00018738 ,
InChIKey OYVAGSVQBOHSSS-APDLVHHKNA-O
InChICode InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29-,30-,34-,35-,36-,37+,38+,39+,40-,41-,42-,43-,53+,54-/m0/s1
SMILES O([C@H]([C@H](NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)C(=O)N[C@H](C)[C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc1nc(c2nc(cs2)C(=O)NCCC[S+](C)C)cs1)[C@H](O)C)C)O)c1[nH]cnc1)[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O[C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)OC(=O)N)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces verticillus NIHJ 424 (FERM-P 2453 ATCC 15003) Ref.
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